N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide

C15H15ClN2O4S — CID 1262342

IUPACN-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H15ClN2O4S/c1-18(2)23(21,22)12-5-3-4-10(8-12)15(20)17-13-9-11(16)6-7-14(13)19/h3-9,19H,1-2H3,(H,17,20)
InChIKeyMLQRPLLANXCIDR-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.55
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide

N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 1262342) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID1262342
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H15ClN2O4S/c1-18(2)23(21,22)12-5-3-4-10(8-12)15(20)17-13-9-11(16)6-7-14(13)19/h3-9,19H,1-2H3,(H,17,20)
InChIKeyMLQRPLLANXCIDR-UHFFFAOYSA-N
XLogP2.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
2-Chloro-N-(4-ethanesulfonyl-2-hydroxy-phenyl)-benzamide
CID 651430
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 3666144
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide (CID 1262342) is N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is MLQRPLLANXCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-18(2)23(21,22)12-5-3-4-10(8-12)15(20)17-13-9-11(16)6-7-14(13)19/h3-9,19H,1-2H3,(H,17,20).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide?
N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 354.82 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 1262342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).