5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate

C11H13ClNO6S- — CID 4577559

IUPAC5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
SMILESO=C([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl
InChIInChI=1S/C11H14ClNO6S/c12-10-2-1-8(7-9(10)11(16)17)20(18,19)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2,(H,16,17)/p-1
InChIKeyATUMKQZRVIADJJ-UHFFFAOYSA-M
MW322.75 g/mol
LogP-1.32
Rot. Bonds7

About 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate

5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate (PubChem CID 4577559) has the molecular formula C11H13ClNO6S- and a molecular weight of 322.75 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
PubChem CID4577559
Molecular FormulaC11H13ClNO6S-
Molecular Weight322.75 g/mol
Exact Mass322.02
IUPAC Name5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
SMILESO=C([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl
InChIInChI=1S/C11H14ClNO6S/c12-10-2-1-8(7-9(10)11(16)17)20(18,19)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2,(H,16,17)/p-1
InChIKeyATUMKQZRVIADJJ-UHFFFAOYSA-M
XLogP-1.32
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876906
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2,3,4-trichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876379
2-chloro-N,N-bis(2-hydroxyethyl)-1,3-benzothiazole-6-sulfonamide
CID 58454473
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 7470552
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855605

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate?
The IUPAC name of 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate (CID 4577559) is 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate?
The canonical SMILES for 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate is O=C([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl.
What is the InChIKey of 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate?
The InChIKey is ATUMKQZRVIADJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14ClNO6S/c12-10-2-1-8(7-9(10)11(16)17)20(18,19)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2,(H,16,17)/p-1.
What are the key properties of 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate?
5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate has a molecular weight of 322.75 g/mol, XLogP of -1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate is sourced from PubChem (CID 4577559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).