2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide

C17H17ClN2O4S2 — CID 126507944

IUPAC2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Sc2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O4S2/c18-14-11-15(25-12-4-2-1-3-5-12)13(10-16(14)26(19,22)23)17(21)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H2,19,22,23)
InChIKeyKCHKZYKQHJUTFV-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide

2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide (PubChem CID 126507944) has the molecular formula C17H17ClN2O4S2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
PubChem CID126507944
Molecular FormulaC17H17ClN2O4S2
Molecular Weight412.92 g/mol
Exact Mass412.03
IUPAC Name2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Sc2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O4S2/c18-14-11-15(25-12-4-2-1-3-5-12)13(10-16(14)26(19,22)23)17(21)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H2,19,22,23)
InChIKeyKCHKZYKQHJUTFV-UHFFFAOYSA-N
XLogP2.61
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
CID 126507400
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
2-(benzenesulfonyl)-4-chloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126507846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide (CID 126507944) is 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Sc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide?
The InChIKey is KCHKZYKQHJUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S2/c18-14-11-15(25-12-4-2-1-3-5-12)13(10-16(14)26(19,22)23)17(21)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H2,19,22,23).
What are the key properties of 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide?
2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide has a molecular weight of 412.92 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide is sourced from PubChem (CID 126507944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).