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Xipamide

C15H15ClN2O4S — CID 26618

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Xipamide

Xipamide (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 NameXipamide
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

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
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 Xipamide?
The IUPAC name of Xipamide (CID 26618) is 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide.
What is the SMILES notation for Xipamide?
The canonical SMILES for Xipamide is Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O.
What is the InChIKey of Xipamide?
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 Xipamide?
Xipamide 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 Xipamide is sourced from PubChem (CID 26618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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