N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide

C15H15ClN2O4S — CID 36861804

IUPACN-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O4S/c1-22-13-7-6-10(8-14(13)23(17,20)21)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyPWZBORTZIABUIC-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.93
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide

N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide (PubChem CID 36861804) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
PubChem CID36861804
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O4S/c1-22-13-7-6-10(8-14(13)23(17,20)21)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyPWZBORTZIABUIC-UHFFFAOYSA-N
XLogP1.93
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 9437289
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2116021

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide (CID 36861804) is N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide is COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(N)(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide?
The InChIKey is PWZBORTZIABUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-13-7-6-10(8-14(13)23(17,20)21)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide?
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide has a molecular weight of 354.82 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 36861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).