N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H19ClN2O4S — CID 109059198

IUPACN-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-9-6-14(12-16(17)19)20-26(23,24)15-7-4-13(5-8-15)18(22)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyNDCJHRYMILCIQG-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059198) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID109059198
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-9-6-14(12-16(17)19)20-26(23,24)15-7-4-13(5-8-15)18(22)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyNDCJHRYMILCIQG-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 99967101
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
[2-(3-chloro-4-methoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250016
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-(3-bromo-4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 55346284
3-chloro-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-methoxybenzenesulfonamide
CID 60534932

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 109059198) is N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is NDCJHRYMILCIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-17-9-6-14(12-16(17)19)20-26(23,24)15-7-4-13(5-8-15)18(22)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).