N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C18H26N2O3S — CID 1294349

IUPACN-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C18H26N2O3S/c1-14-9-11-20(12-10-14)24(22,23)17-8-4-5-15(13-17)18(21)19-16-6-2-3-7-16/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H,19,21)
InChIKeyOMWPZBYGRKTART-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 1294349) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID1294349
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C18H26N2O3S/c1-14-9-11-20(12-10-14)24(22,23)17-8-4-5-15(13-17)18(21)19-16-6-2-3-7-16/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H,19,21)
InChIKeyOMWPZBYGRKTART-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-sulfamoylbenzamide
CID 4347
N-methyl-4-sulfamoylbenzamide
CID 4093508
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
1,2-Benzisothiazol-3(2H)-one, 2-(2-oxo-3-piperidinyl)-, 1,1-dioxide
CID 39528
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
CID 130431459

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 1294349) is N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)CC1.
What is the InChIKey of N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is OMWPZBYGRKTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-9-11-20(12-10-14)24(22,23)17-8-4-5-15(13-17)18(21)19-16-6-2-3-7-16/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 350.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 1294349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).