N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

C17H20N2O2S — CID 168513402

IUPACN-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H20N2O2S/c1-14-5-4-6-15(13-14)18-22(20,21)17-9-7-16(8-10-17)19-11-2-3-12-19/h4-10,13,18H,2-3,11-12H2,1H3
InChIKeyMKOORCFOXBJNQC-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.40
Rot. Bonds4

About N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168513402) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168513402
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H20N2O2S/c1-14-5-4-6-15(13-14)18-22(20,21)17-9-7-16(8-10-17)19-11-2-3-12-19/h4-10,13,18H,2-3,11-12H2,1H3
InChIKeyMKOORCFOXBJNQC-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385
3-(azepan-1-yl)-N-(3-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25040757
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 168513402) is N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is MKOORCFOXBJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-5-4-6-15(13-14)18-22(20,21)17-9-7-16(8-10-17)19-11-2-3-12-19/h4-10,13,18H,2-3,11-12H2,1H3.
What are the key properties of N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168513402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).