4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C21H26N2O3S — CID 39329690

IUPAC4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)14-17-8-10-20(11-9-17)27(25,26)22-19-7-5-6-18(15-19)21(24)23-12-3-4-13-23/h5-11,15-16,22H,3-4,12-14H2,1-2H3
InChIKeyXITCIZDLEZKYKR-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.92
Rot. Bonds6

About 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 39329690) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID39329690
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)14-17-8-10-20(11-9-17)27(25,26)22-19-7-5-6-18(15-19)21(24)23-12-3-4-13-23/h5-11,15-16,22H,3-4,12-14H2,1-2H3
InChIKeyXITCIZDLEZKYKR-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973961
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 39329690) is 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is XITCIZDLEZKYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16(2)14-17-8-10-20(11-9-17)27(25,26)22-19-7-5-6-18(15-19)21(24)23-12-3-4-13-23/h5-11,15-16,22H,3-4,12-14H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).