3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C17H25N3O3S — CID 119509919

IUPAC3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H25N3O3S/c21-17(19-12-15-8-4-10-18-15)13-5-3-9-16(11-13)24(22,23)20-14-6-1-2-7-14/h3,5,9,11,14-15,18,20H,1-2,4,6-8,10,12H2,(H,19,21)
InChIKeySKIQKGHIGUEZAM-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.39
Rot. Bonds6

About 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide

3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119509919) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119509919
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H25N3O3S/c21-17(19-12-15-8-4-10-18-15)13-5-3-9-16(11-13)24(22,23)20-14-6-1-2-7-14/h3,5,9,11,14-15,18,20H,1-2,4,6-8,10,12H2,(H,19,21)
InChIKeySKIQKGHIGUEZAM-UHFFFAOYSA-N
XLogP1.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835
3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120946036
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-[(3-chlorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513853
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-[(3,4-difluorophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513016
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119509919) is 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is SKIQKGHIGUEZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-17(19-12-15-8-4-10-18-15)13-5-3-9-16(11-13)24(22,23)20-14-6-1-2-7-14/h3,5,9,11,14-15,18,20H,1-2,4,6-8,10,12H2,(H,19,21).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 351.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119509919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).