N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide

C23H29N3O4S — CID 56544059

IUPACN-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-30-22-10-3-2-9-21(22)24-31(28,29)20-8-6-7-18(17-20)23(27)26-15-11-19(12-16-26)25-13-4-5-14-25/h2-3,6-10,17,19,24H,4-5,11-16H2,1H3
InChIKeyAZPTVJLKLIUWEC-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.20
Rot. Bonds6

About N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 56544059) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID56544059
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-30-22-10-3-2-9-21(22)24-31(28,29)20-8-6-7-18(17-20)23(27)26-15-11-19(12-16-26)25-13-4-5-14-25/h2-3,6-10,17,19,24H,4-5,11-16H2,1H3
InChIKeyAZPTVJLKLIUWEC-UHFFFAOYSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 25342627
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
4-methyl-N-(2-methylphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56550836
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
3-fluoro-4-methyl-N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 56544184

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide (CID 56544059) is N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is AZPTVJLKLIUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-22-10-3-2-9-21(22)24-31(28,29)20-8-6-7-18(17-20)23(27)26-15-11-19(12-16-26)25-13-4-5-14-25/h2-3,6-10,17,19,24H,4-5,11-16H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 56544059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).