N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H20N2O3S — CID 109059175

IUPACN-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H20N2O3S/c1-14-5-4-6-16(13-14)19-24(22,23)17-9-7-15(8-10-17)18(21)20-11-2-3-12-20/h4-10,13,19H,2-3,11-12H2,1H3
InChIKeyYPVLPUWKZKVKLB-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.03
Rot. Bonds4

About N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059175) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID109059175
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H20N2O3S/c1-14-5-4-6-16(13-14)19-24(22,23)17-9-7-15(8-10-17)18(21)20-11-2-3-12-20/h4-10,13,19H,2-3,11-12H2,1H3
InChIKeyYPVLPUWKZKVKLB-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 109059175) is N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is YPVLPUWKZKVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-5-4-6-16(13-14)19-24(22,23)17-9-7-15(8-10-17)18(21)20-11-2-3-12-20/h4-10,13,19H,2-3,11-12H2,1H3.
What are the key properties of N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.03, 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-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).