N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide

C15H16ClN3O5S2 — CID 56578585

IUPACN-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
SMILESCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O5S2/c1-25(21,22)14-8-12(26(17,23)24)6-7-13(14)18-9-15(20)19-11-4-2-10(16)3-5-11/h2-8,18H,9H2,1H3,(H,19,20)(H2,17,23,24)
InChIKeyFKYIBGOWWJPMDN-UHFFFAOYSA-N
MW417.90 g/mol
LogP1.44
Rot. Bonds6

About N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide

N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide (PubChem CID 56578585) has the molecular formula C15H16ClN3O5S2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
PubChem CID56578585
Molecular FormulaC15H16ClN3O5S2
Molecular Weight417.90 g/mol
Exact Mass417.02
IUPAC NameN-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
SMILESCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O5S2/c1-25(21,22)14-8-12(26(17,23)24)6-7-13(14)18-9-15(20)19-11-4-2-10(16)3-5-11/h2-8,18H,9H2,1H3,(H,19,20)(H2,17,23,24)
InChIKeyFKYIBGOWWJPMDN-UHFFFAOYSA-N
XLogP1.44
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689
2-(2-bromo-4-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 28939364
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
CID 22305357
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
2-(2-acetamidoanilino)-N-(4-chlorophenyl)acetamide
CID 163304116
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-(4-chlorophenyl)-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 133298392

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide (CID 56578585) is N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide is CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide?
The InChIKey is FKYIBGOWWJPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O5S2/c1-25(21,22)14-8-12(26(17,23)24)6-7-13(14)18-9-15(20)19-11-4-2-10(16)3-5-11/h2-8,18H,9H2,1H3,(H,19,20)(H2,17,23,24).
What are the key properties of N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide?
N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide has a molecular weight of 417.90 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide is sourced from PubChem (CID 56578585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).