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

C19H30ClN3O4S — CID 120943251

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCC2CNCC2O)c1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-22(16-7-3-2-4-8-16)27(25,26)17-9-5-6-14(10-17)19(24)21-12-15-11-20-13-18(15)23;/h5-6,9-10,15-16,18,20,23H,2-4,7-8,11-13H2,1H3,(H,21,24);1H
InChIKeyRGRNKLXROCASHP-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.37
Rot. Bonds6

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

3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (PubChem CID 120943251) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
PubChem CID120943251
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCC2CNCC2O)c1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-22(16-7-3-2-4-8-16)27(25,26)17-9-5-6-14(10-17)19(24)21-12-15-11-20-13-18(15)23;/h5-6,9-10,15-16,18,20,23H,2-4,7-8,11-13H2,1H3,(H,21,24);1H
InChIKeyRGRNKLXROCASHP-UHFFFAOYSA-N
XLogP1.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120946036
3-[cyclohexyl(methyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653199
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
CID 120687513
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 120943382
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442993
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948547
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 43008206
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-(benzylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945519
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (CID 120943251) is 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCC2CNCC2O)c1.Cl.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is RGRNKLXROCASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-22(16-7-3-2-4-8-16)27(25,26)17-9-5-6-14(10-17)19(24)21-12-15-11-20-13-18(15)23;/h5-6,9-10,15-16,18,20,23H,2-4,7-8,11-13H2,1H3,(H,21,24);1H.
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120943251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).