2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C55H72Cl4F9N7O9S3 — CID 161040678

IUPAC2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)CNCC(=O)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.Cl.O=C(CCl)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.O=C(Cl)CCl.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCNC1
InChIInChI=1S/C21H30F3N3O3S.C17H20ClF3N2O3S.C15H19F3N2O2S.C2H2Cl2O.ClH/c1-15(2)12-25-13-20(28)26-10-4-6-18(14-26)27(17-8-9-17)31(29,30)19-7-3-5-16(11-19)21(22,23)24;18-10-16(24)22-8-2-4-14(11-22)23(13-6-7-13)27(25,26)15-5-1-3-12(9-15)17(19,20)21;16-15(17,18)11-3-1-5-14(9-11)23(21,22)20(12-6-7-12)13-4-2-8-19-10-13;3-1-2(4)5;/h3,5,7,11,15,17-18,25H,4,6,8-10,12-14H2,1-2H3;1,3,5,9,13-14H,2,4,6-8,10-11H2;1,3,5,9,12-13,19H,2,4,6-8,10H2;1H2;1H
InChIKeyBWURSESXZIAHEE-UHFFFAOYSA-N
MW1384.22 g/mol
LogP10.21
Rot. Bonds18

About 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 161040678) has the molecular formula C55H72Cl4F9N7O9S3 and a molecular weight of 1384.22 g/mol. Its IUPAC name is 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID161040678
Molecular FormulaC55H72Cl4F9N7O9S3
Molecular Weight1384.22 g/mol
Exact Mass1381.32
IUPAC Name2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)CNCC(=O)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.Cl.O=C(CCl)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.O=C(Cl)CCl.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCNC1
InChIInChI=1S/C21H30F3N3O3S.C17H20ClF3N2O3S.C15H19F3N2O2S.C2H2Cl2O.ClH/c1-15(2)12-25-13-20(28)26-10-4-6-18(14-26)27(17-8-9-17)31(29,30)19-7-3-5-16(11-19)21(22,23)24;18-10-16(24)22-8-2-4-14(11-22)23(13-6-7-13)27(25,26)15-5-1-3-12(9-15)17(19,20)21;16-15(17,18)11-3-1-5-14(9-11)23(21,22)20(12-6-7-12)13-4-2-8-19-10-13;3-1-2(4)5;/h3,5,7,11,15,17-18,25H,4,6,8-10,12-14H2,1-2H3;1,3,5,9,13-14H,2,4,6-8,10-11H2;1,3,5,9,12-13,19H,2,4,6-8,10H2;1H2;1H
InChIKeyBWURSESXZIAHEE-UHFFFAOYSA-N
XLogP10.21
TPSA193.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001384.22
LogP ≤ 510.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 24877270
N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24877155
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055
N-[1-(azetidine-3-carbonyl)piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24882798
N-[1-(3-amino-5-methylhexanoyl)-2-iodopiperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 69406115
N-cyclopropyl-N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfinamide
CID 143546288
4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 160753308
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 72544206

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 161040678) is 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC(C)CNCC(=O)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.Cl.O=C(CCl)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.O=C(Cl)CCl.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCNC1.
What is the InChIKey of 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BWURSESXZIAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O3S.C17H20ClF3N2O3S.C15H19F3N2O2S.C2H2Cl2O.ClH/c1-15(2)12-25-13-20(28)26-10-4-6-18(14-26)27(17-8-9-17)31(29,30)19-7-3-5-16(11-19)21(22,23)24;18-10-16(24)22-8-2-4-14(11-22)23(13-6-7-13)27(25,26)15-5-1-3-12(9-15)17(19,20)21;16-15(17,18)11-3-1-5-14(9-11)23(21,22)20(12-6-7-12)13-4-2-8-19-10-13;3-1-2(4)5;/h3,5,7,11,15,17-18,25H,4,6,8-10,12-14H2,1-2H3;1,3,5,9,13-14H,2,4,6-8,10-11H2;1,3,5,9,12-13,19H,2,4,6-8,10H2;1H2;1H.
What are the key properties of 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 1384.22 g/mol, XLogP of 10.21, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 161040678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).