4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride

C15H13ClN2O4S — CID 2756280

IUPAC4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,17,18,20)
InChIKeyKKORNJVPLKGCKB-UHFFFAOYSA-N
MW352.80 g/mol
LogP3.46
Rot. Bonds4

About 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride

4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride (PubChem CID 2756280) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
PubChem CID2756280
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Name4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,17,18,20)
InChIKeyKKORNJVPLKGCKB-UHFFFAOYSA-N
XLogP3.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
4-acetylbenzenesulfonyl chloride;4-acetyl-N,N-dimethylbenzenesulfonamide
CID 87987593
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895413
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
4-(butylcarbamoylamino)benzenesulfonyl chloride
CID 2757350
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 46568918

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride?
The IUPAC name of 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride (CID 2756280) is 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride is CC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride?
The InChIKey is KKORNJVPLKGCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,17,18,20).
What are the key properties of 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride?
4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride has a molecular weight of 352.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride is sourced from PubChem (CID 2756280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).