N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

C16H24ClN3O3S — CID 119276101

IUPACN-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S.ClH/c20-16(15-7-4-10-17-15)19-11-8-13(9-12-19)18-23(21,22)14-5-2-1-3-6-14;/h1-3,5-6,13,15,17-18H,4,7-12H2;1H
InChIKeyVYUKDVLECFXKIX-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.13
Rot. Bonds4

About N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 119276101) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID119276101
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S.ClH/c20-16(15-7-4-10-17-15)19-11-8-13(9-12-19)18-23(21,22)14-5-2-1-3-6-14;/h1-3,5-6,13,15,17-18H,4,7-12H2;1H
InChIKeyVYUKDVLECFXKIX-UHFFFAOYSA-N
XLogP1.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119302923
2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119288335
N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711574
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
CID 119732715

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (CID 119276101) is N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is Cl.O=C(C1CCCN1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is VYUKDVLECFXKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c20-16(15-7-4-10-17-15)19-11-8-13(9-12-19)18-23(21,22)14-5-2-1-3-6-14;/h1-3,5-6,13,15,17-18H,4,7-12H2;1H.
What are the key properties of N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119276101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).