N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide

C19H23N3O4S — CID 119580119

IUPACN-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-13-22(12-11-20-14)19(23)15-7-9-16(10-8-15)27(24,25)21-17-5-3-4-6-18(17)26-2/h3-10,14,20-21H,11-13H2,1-2H3
InChIKeyOEYAOVSQUVWUAQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.93
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119580119) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID119580119
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-13-22(12-11-20-14)19(23)15-7-9-16(10-8-15)27(24,25)21-17-5-3-4-6-18(17)26-2/h3-10,14,20-21H,11-13H2,1-2H3
InChIKeyOEYAOVSQUVWUAQ-UHFFFAOYSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
N-(2-methoxyphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46687768
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253
ethyl 1-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 25162125
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55958812
N-(2-methoxyphenyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 43050311
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
2-chloro-N-(2-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347642
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 119580119) is N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCNC(C)C2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is OEYAOVSQUVWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-13-22(12-11-20-14)19(23)15-7-9-16(10-8-15)27(24,25)21-17-5-3-4-6-18(17)26-2/h3-10,14,20-21H,11-13H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119580119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).