4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene

C10H13ClN2O3S — CID 18615256

IUPAC4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene
SMILESCC(=O)c1ccc(Cl)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H13ClN2O3S/c1-7(14)8-4-5-9(11)10(6-8)12-17(15,16)13(2)3/h4-6,12H,1-3H3
InChIKeyUMCPNUVPEIQOFE-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.76
Rot. Bonds4

About 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene

4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene (PubChem CID 18615256) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene
PubChem CID18615256
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene
SMILESCC(=O)c1ccc(Cl)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H13ClN2O3S/c1-7(14)8-4-5-9(11)10(6-8)12-17(15,16)13(2)3/h4-6,12H,1-3H3
InChIKeyUMCPNUVPEIQOFE-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(dimethylsulfamoylamino)-N-phenylbenzamide
CID 13322352
N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
CID 2742129
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
N-[2-chloro-5-[(E)-1-(dimethylamino)-3-oxobut-1-en-2-yl]phenyl]methanesulfonamide
CID 68722858
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
4-chloro-3-(sulfamoylamino)benzamide
CID 112573335
1-chloro-4-(dimethylsulfamoylamino)-2-hydroxybenzene
CID 64787894
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
CID 58565692

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene?
The IUPAC name of 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene (CID 18615256) is 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene is CC(=O)c1ccc(Cl)c(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene?
The InChIKey is UMCPNUVPEIQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-7(14)8-4-5-9(11)10(6-8)12-17(15,16)13(2)3/h4-6,12H,1-3H3.
What are the key properties of 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene?
4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene has a molecular weight of 276.75 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 18615256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).