sodium;2-chloro-5-sulfamoylbenzoic acid;hydride

C7H7ClNNaO4S — CID 174663116

IUPACsodium;2-chloro-5-sulfamoylbenzoic acid;hydride
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C7H6ClNO4S.Na.H/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11;;/h1-3H,(H,10,11)(H2,9,12,13);;/q;+1;-1
InChIKeyRZWQKMMDZYQNHP-UHFFFAOYSA-N
MW259.65 g/mol
LogP-2.20
Rot. Bonds2

About sodium;2-chloro-5-sulfamoylbenzoic acid;hydride

sodium;2-chloro-5-sulfamoylbenzoic acid;hydride (PubChem CID 174663116) has the molecular formula C7H7ClNNaO4S and a molecular weight of 259.65 g/mol. Its IUPAC name is sodium;2-chloro-5-sulfamoylbenzoic acid;hydride.

Molecular Properties

Compound Namesodium;2-chloro-5-sulfamoylbenzoic acid;hydride
PubChem CID174663116
Molecular FormulaC7H7ClNNaO4S
Molecular Weight259.65 g/mol
Exact Mass258.97
IUPAC Namesodium;2-chloro-5-sulfamoylbenzoic acid;hydride
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C7H6ClNO4S.Na.H/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11;;/h1-3H,(H,10,11)(H2,9,12,13);;/q;+1;-1
InChIKeyRZWQKMMDZYQNHP-UHFFFAOYSA-N
XLogP-2.20
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(4-sulfamoylanilino)benzoic acid
CID 60860550
2,4-disulfamoylbenzoic acid
CID 70122290
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
2-chloro-5-(2-fluoroethylsulfonyl)benzoic acid
CID 80695090
disodium;hydride;2-hydroxy-5-sulfobenzoic acid
CID 173215805
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
5-azidosulfonyl-2-chlorobenzoic acid
CID 22157602
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
2-chloro-5-(cyanosulfamoyl)benzoic acid
CID 79193576
cyclopentyl 2-chloro-5-sulfamoylbenzoate
CID 65381040
(1-amino-1-oxopropan-2-yl) 2-chloro-5-sulfamoylbenzoate
CID 22108582

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloro-5-sulfamoylbenzoic acid;hydride?
The IUPAC name of sodium;2-chloro-5-sulfamoylbenzoic acid;hydride (CID 174663116) is sodium;2-chloro-5-sulfamoylbenzoic acid;hydride.
What is the SMILES notation for sodium;2-chloro-5-sulfamoylbenzoic acid;hydride?
The canonical SMILES for sodium;2-chloro-5-sulfamoylbenzoic acid;hydride is NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.[H-].[Na+].
What is the InChIKey of sodium;2-chloro-5-sulfamoylbenzoic acid;hydride?
The InChIKey is RZWQKMMDZYQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO4S.Na.H/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11;;/h1-3H,(H,10,11)(H2,9,12,13);;/q;+1;-1.
What are the key properties of sodium;2-chloro-5-sulfamoylbenzoic acid;hydride?
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride has a molecular weight of 259.65 g/mol, XLogP of -2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chloro-5-sulfamoylbenzoic acid;hydride is sourced from PubChem (CID 174663116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).