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

C18H20N2O3S — CID 967693

IUPAC4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-4-10-17(11-5-14)24(22,23)19-16-8-6-15(7-9-16)18(21)20-12-2-3-13-20/h4-11,19H,2-3,12-13H2,1H3
InChIKeyIPNDPOCWKVZRGH-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.03
Rot. Bonds4

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

4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 967693) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID967693
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-4-10-17(11-5-14)24(22,23)19-16-8-6-15(7-9-16)18(21)20-12-2-3-13-20/h4-11,19H,2-3,12-13H2,1H3
InChIKeyIPNDPOCWKVZRGH-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-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 30832859
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 967693) is 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is IPNDPOCWKVZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-4-10-17(11-5-14)24(22,23)19-16-8-6-15(7-9-16)18(21)20-12-2-3-13-20/h4-11,19H,2-3,12-13H2,1H3.
What are the key properties of 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]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 4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 967693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).