N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C17H26N2O4S2 — CID 25044263

IUPACN-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H26N2O4S2/c1-14-7-2-3-10-17(14)18-24(20,21)15-8-6-9-16(13-15)25(22,23)19-11-4-5-12-19/h6,8-9,13-14,17-18H,2-5,7,10-12H2,1H3
InChIKeyUPMYBQMZSYFRIE-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 25044263) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID25044263
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC NameN-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H26N2O4S2/c1-14-7-2-3-10-17(14)18-24(20,21)15-8-6-9-16(13-15)25(22,23)19-11-4-5-12-19/h6,8-9,13-14,17-18H,2-5,7,10-12H2,1H3
InChIKeyUPMYBQMZSYFRIE-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
CID 119960493
N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51716707
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
1-[(1R,2R)-2-methylcyclohexyl]-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668828
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
N-(2-methylcyclohexyl)-9,10-dioxoanthracene-2-sulfonamide
CID 172880571
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 98652937
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 25044263) is N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is UPMYBQMZSYFRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-14-7-2-3-10-17(14)18-24(20,21)15-8-6-9-16(13-15)25(22,23)19-11-4-5-12-19/h6,8-9,13-14,17-18H,2-5,7,10-12H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 25044263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).