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

C19H23N3O4S — CID 7908038

IUPACN-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)19(23)15-4-3-5-18(14-15)27(24,25)20-16-6-8-17(26-2)9-7-16/h3-9,14,20H,10-13H2,1-2H3
InChIKeyVSDKUAQNTRERNJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.88
Rot. Bonds5

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

N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 7908038) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID7908038
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)19(23)15-4-3-5-18(14-15)27(24,25)20-16-6-8-17(26-2)9-7-16/h3-9,14,20H,10-13H2,1-2H3
InChIKeyVSDKUAQNTRERNJ-UHFFFAOYSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
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
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109064276

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 7908038) is N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is VSDKUAQNTRERNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21-10-12-22(13-11-21)19(23)15-4-3-5-18(14-15)27(24,25)20-16-6-8-17(26-2)9-7-16/h3-9,14,20H,10-13H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 7908038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).