2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide

C16H17ClN2O6S2 — CID 126507400

IUPAC2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCO)c(S(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2O6S2/c17-13-9-14(26(22,23)10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)27(18,24)25/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,24,25)
InChIKeyKZUKWKADTYXYMJ-UHFFFAOYSA-N
MW432.91 g/mol
LogP0.68
Rot. Bonds7

About 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide

2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide (PubChem CID 126507400) has the molecular formula C16H17ClN2O6S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
PubChem CID126507400
Molecular FormulaC16H17ClN2O6S2
Molecular Weight432.91 g/mol
Exact Mass432.02
IUPAC Name2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCO)c(S(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2O6S2/c17-13-9-14(26(22,23)10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)27(18,24)25/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,24,25)
InChIKeyKZUKWKADTYXYMJ-UHFFFAOYSA-N
XLogP0.68
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
CID 126508087
4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
CID 126508406
N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508480
Methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
CID 126508837
N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide
CID 126509009
4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
CID 126509224
3-[(4-Chloro-2-phenylsulfanyl-5-sulfamoyl-benzoyl)amino]propyl acetate
CID 126506968
Methyl 4-[(2-benzylsulfonyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126507285
4-chloro-N-(2-hydroxyethyl)-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126507415
2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507531
Methyl 4-[(2-benzylsulfanyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126507693
4-[(2-Benzylsulfonyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoic acid
CID 126507792

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide (CID 126507400) is 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCCO)c(S(=O)(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The InChIKey is KZUKWKADTYXYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O6S2/c17-13-9-14(26(22,23)10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)27(18,24)25/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,24,25).
What are the key properties of 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide has a molecular weight of 432.91 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126507400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).