2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide

C15H13Cl2N3O4S — CID 174989796

IUPAC2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O4S/c1-18-15(22)19-9-5-7-10(8-6-9)25(23,24)20-14(21)11-3-2-4-12(16)13(11)17/h2-8H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyTXAJEMJQQSACGA-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.86
Rot. Bonds4

About 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide

2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide (PubChem CID 174989796) has the molecular formula C15H13Cl2N3O4S and a molecular weight of 402.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
PubChem CID174989796
Molecular FormulaC15H13Cl2N3O4S
Molecular Weight402.26 g/mol
Exact Mass401.00
IUPAC Name2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O4S/c1-18-15(22)19-9-5-7-10(8-6-9)25(23,24)20-14(21)11-3-2-4-12(16)13(11)17/h2-8H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyTXAJEMJQQSACGA-UHFFFAOYSA-N
XLogP2.86
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
CID 23556590
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
CID 15097317
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
2,3-dichloro-N-phenylbenzamide
CID 7732866
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
N-[3-(benzenesulfonamido)phenyl]-2,3-dichlorobenzamide
CID 46474289
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
The IUPAC name of 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide (CID 174989796) is 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
The canonical SMILES for 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide is CNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
The InChIKey is TXAJEMJQQSACGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4S/c1-18-15(22)19-9-5-7-10(8-6-9)25(23,24)20-14(21)11-3-2-4-12(16)13(11)17/h2-8H,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide has a molecular weight of 402.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide is sourced from PubChem (CID 174989796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).