2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide

C18H19ClN2O4S — CID 1119039

IUPAC2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13-3-2-4-14(11-13)20-18(22)16-12-15(5-6-17(16)19)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyTVEKAMAVYVEAPA-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1119039) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1119039
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13-3-2-4-14(11-13)20-18(22)16-12-15(5-6-17(16)19)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyTVEKAMAVYVEAPA-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 1119039) is 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is TVEKAMAVYVEAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-3-2-4-14(11-13)20-18(22)16-12-15(5-6-17(16)19)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1119039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).