2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide

C18H18ClN3O5S — CID 171115112

IUPAC2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide
SMILESCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)N(C(C)=O)c1ccccc1C
InChIInChI=1S/C18H18ClN3O5S/c1-10-6-4-5-7-16(10)22(12(3)24)18(25)13-8-17(28(20,26)27)14(19)9-15(13)21-11(2)23/h4-9H,1-3H3,(H,21,23)(H2,20,26,27)
InChIKeyLFDNCLOOHPVTPK-UHFFFAOYSA-N
MW423.88 g/mol
LogP2.45
Rot. Bonds4

About 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide

2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide (PubChem CID 171115112) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide
PubChem CID171115112
Molecular FormulaC18H18ClN3O5S
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC Name2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide
SMILESCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)N(C(C)=O)c1ccccc1C
InChIInChI=1S/C18H18ClN3O5S/c1-10-6-4-5-7-16(10)22(12(3)24)18(25)13-8-17(28(20,26)27)14(19)9-15(13)21-11(2)23/h4-9H,1-3H3,(H,21,23)(H2,20,26,27)
InChIKeyLFDNCLOOHPVTPK-UHFFFAOYSA-N
XLogP2.45
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
N-(2-methylphenyl)-N-[(2-methylphenyl)carbamoyl]acetamide
CID 4278277
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913420
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
N'-amino-N'-(2-methylphenyl)acetohydrazide
CID 141294886
4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
CID 13348413
2,4-dichloro-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
CID 19577340
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
CID 101117427

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide (CID 171115112) is 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide is CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)N(C(C)=O)c1ccccc1C.
What is the InChIKey of 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide?
The InChIKey is LFDNCLOOHPVTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c1-10-6-4-5-7-16(10)22(12(3)24)18(25)13-8-17(28(20,26)27)14(19)9-15(13)21-11(2)23/h4-9H,1-3H3,(H,21,23)(H2,20,26,27).
What are the key properties of 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide?
2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide has a molecular weight of 423.88 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-acetyl-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 171115112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).