N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C17H26N2O4S2 — CID 645768

IUPACN-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O4S2/c1-14-6-2-3-7-17(14)18-24(20,21)15-8-10-16(11-9-15)25(22,23)19-12-4-5-13-19/h8-11,14,17-18H,2-7,12-13H2,1H3
InChIKeyKIRUQSXYMWHYEN-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 645768) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID645768
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC NameN-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O4S2/c1-14-6-2-3-7-17(14)18-24(20,21)15-8-10-16(11-9-15)25(22,23)19-12-4-5-13-19/h8-11,14,17-18H,2-7,12-13H2,1H3
InChIKeyKIRUQSXYMWHYEN-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

Analyze N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166972
Cambridge id 6754860
CID 1158593
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
CID 3185256
4-(4-Cyclopentyl-piperazine-1-sulfonyl)-N-isobutyl-benzenesulfonamide
CID 24793341
N-Benzyl-4-(2,6-dimethyl-piperidine-1-sulfonyl)-benzenesulfonamide
CID 3226868
N-Cyclohexyl-N-methyl-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 649136
4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopropyl-benzenesulfonamide
CID 653596
N-benzyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1168295
N-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]benzenesulfonamide
CID 1231838
2-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 3185108
N-sec-Butyl-4-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl]-benzenesulfonamide
CID 3185231
4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 5307430

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 645768) is N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is KIRUQSXYMWHYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-14-6-2-3-7-17(14)18-24(20,21)15-8-10-16(11-9-15)25(22,23)19-12-4-5-13-19/h8-11,14,17-18H,2-7,12-13H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(2-methylcyclohexyl)-4-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)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 645768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).