N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C21H26N2O3S — CID 47946378

IUPACN-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-21(2,3)17-9-11-18(12-10-17)22-27(25,26)19-8-6-7-16(15-19)20(24)23-13-4-5-14-23/h6-12,15,22H,4-5,13-14H2,1-3H3
InChIKeyXWAWABOARAECMT-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.02
Rot. Bonds4

About N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 47946378) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID47946378
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-21(2,3)17-9-11-18(12-10-17)22-27(25,26)19-8-6-7-16(15-19)20(24)23-13-4-5-14-23/h6-12,15,22H,4-5,13-14H2,1-3H3
InChIKeyXWAWABOARAECMT-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(4-tert-butylphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 53257717
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063341
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
N-(3-bromo-4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 55346284

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 47946378) is N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XWAWABOARAECMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-21(2,3)17-9-11-18(12-10-17)22-27(25,26)19-8-6-7-16(15-19)20(24)23-13-4-5-14-23/h6-12,15,22H,4-5,13-14H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 47946378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).