4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide

C16H18N2O5S — CID 1022029

IUPAC4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C16H18N2O5S/c1-18(12-6-4-11(5-7-12)16(17)19)24(20,21)13-8-9-14(22-2)15(10-13)23-3/h4-10H,1-3H3,(H2,17,19)
InChIKeyVDNANQTYNCZUFH-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.63
Rot. Bonds6

About 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 1022029) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID1022029
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C16H18N2O5S/c1-18(12-6-4-11(5-7-12)16(17)19)24(20,21)13-8-9-14(22-2)15(10-13)23-3/h4-10H,1-3H3,(H2,17,19)
InChIKeyVDNANQTYNCZUFH-UHFFFAOYSA-N
XLogP1.63
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1294119
3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 1289307
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
N-(5-chloro-2-methylphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227239
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 16514939
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2984505
ethyl 3-chloro-4-[[4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzoyl]amino]benzoate
CID 43876679

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide (CID 1022029) is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is VDNANQTYNCZUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-18(12-6-4-11(5-7-12)16(17)19)24(20,21)13-8-9-14(22-2)15(10-13)23-3/h4-10H,1-3H3,(H2,17,19).
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 350.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 1022029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).