3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

C17H26ClN3O4S — CID 120946036

IUPAC3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H25N3O4S.ClH/c21-16-11-18-9-13(16)10-19-17(22)12-4-3-7-15(8-12)25(23,24)20-14-5-1-2-6-14;/h3-4,7-8,13-14,16,18,20-21H,1-2,5-6,9-11H2,(H,19,22);1H
InChIKeyHNKHAVKOEUMNAT-UHFFFAOYSA-N
MW403.93 g/mol
LogP0.64
Rot. Bonds6

About 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (PubChem CID 120946036) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
PubChem CID120946036
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H25N3O4S.ClH/c21-16-11-18-9-13(16)10-19-17(22)12-4-3-7-15(8-12)25(23,24)20-14-5-1-2-6-14;/h3-4,7-8,13-14,16,18,20-21H,1-2,5-6,9-11H2,(H,19,22);1H
InChIKeyHNKHAVKOEUMNAT-UHFFFAOYSA-N
XLogP0.64
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943251
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 120943382
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945519
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (CID 120946036) is 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is HNKHAVKOEUMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c21-16-11-18-9-13(16)10-19-17(22)12-4-3-7-15(8-12)25(23,24)20-14-5-1-2-6-14;/h3-4,7-8,13-14,16,18,20-21H,1-2,5-6,9-11H2,(H,19,22);1H.
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120946036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).