2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide

C19H21ClN2O4S — CID 1289241

IUPAC2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c1C
InChIInChI=1S/C19H21ClN2O4S/c1-13-4-3-5-17(14(13)2)21-27(24,25)18-12-15(6-7-16(18)20)19(23)22-8-10-26-11-9-22/h3-7,12,21H,8-11H2,1-2H3
InChIKeyRVXDCJLMUADAKM-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide

2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 1289241) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID1289241
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c1C
InChIInChI=1S/C19H21ClN2O4S/c1-13-4-3-5-17(14(13)2)21-27(24,25)18-12-15(6-7-16(18)20)19(23)22-8-10-26-11-9-22/h3-7,12,21H,8-11H2,1-2H3
InChIKeyRVXDCJLMUADAKM-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,3-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 5178494
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 126415647
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 41368476
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 5035675
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767222
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 3608681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 1289241) is 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is RVXDCJLMUADAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-13-4-3-5-17(14(13)2)21-27(24,25)18-12-15(6-7-16(18)20)19(23)22-8-10-26-11-9-22/h3-7,12,21H,8-11H2,1-2H3.
What are the key properties of 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 408.91 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1289241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).