4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide

C15H15ClN2O4S — CID 26618

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IUPAC4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O
InChIInChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyMTZBBNMLMNBNJL-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.56
Rot. Bonds3

About 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide

4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide (PubChem CID 26618) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
PubChem CID26618
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O
InChIInChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyMTZBBNMLMNBNJL-UHFFFAOYSA-N
XLogP2.56
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-hydroxy-N-(4-sulfamoylphenyl)benzamide
CID 12321820
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-benzamide
CID 28394305
Xipamide, trimethyl deriv.
CID 91753805
Xipamide-d6
CID 71753002
2-[(4-Chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride
CID 116814246
5-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)-2-hydroxybenzamide
CID 16644477
5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide
CID 20772124
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67710197
CID 69874537
CID 69874537
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;ethane-1,2-diol
CID 69931255
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;2-oxopropanoic acid
CID 70299946
4-Chloro-2-hydroxy-5-sulfamoylbenzoic acid;2,6-dimethylaniline
CID 70426775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide (CID 26618) is 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide is Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide?
The InChIKey is MTZBBNMLMNBNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide?
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide has a molecular weight of 354.82 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide is sourced from PubChem (CID 26618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).