N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide

C18H26N2O3S — CID 3444645

IUPACN-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(20-12-4-5-13-20)16-10-8-15(9-11-16)14-19-24(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16,19H,4-5,8-14H2
InChIKeyDKFZAIDAYWZQAO-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.39
Rot. Bonds5

About N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide

N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 3444645) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID3444645
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(20-12-4-5-13-20)16-10-8-15(9-11-16)14-19-24(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16,19H,4-5,8-14H2
InChIKeyDKFZAIDAYWZQAO-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331
N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 20968630
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 20968626
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525486
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
N-[2-(benzenesulfonamido)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119704261
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(benzenesulfonamidomethyl)piperidine-1-carboxylate
CID 89480812

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide (CID 3444645) is N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide is O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CCCC1.
What is the InChIKey of N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is DKFZAIDAYWZQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(20-12-4-5-13-20)16-10-8-15(9-11-16)14-19-24(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16,19H,4-5,8-14H2.
What are the key properties of N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3444645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).