2-chloro-4-(propan-2-ylsulfonylamino)benzamide

C10H13ClN2O3S — CID 62997643

IUPAC2-chloro-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O3S/c1-6(2)17(15,16)13-7-3-4-8(10(12)14)9(11)5-7/h3-6,13H,1-2H3,(H2,12,14)
InChIKeyXICONPLLCDWOHM-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.59
Rot. Bonds4

About 2-chloro-4-(propan-2-ylsulfonylamino)benzamide

2-chloro-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 62997643) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID62997643
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-chloro-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O3S/c1-6(2)17(15,16)13-7-3-4-8(10(12)14)9(11)5-7/h3-6,13H,1-2H3,(H2,12,14)
InChIKeyXICONPLLCDWOHM-UHFFFAOYSA-N
XLogP1.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 60858307
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
CID 63000379
methyl 4-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]butanoate
CID 61460424
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136415
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
CID 55153736
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of 2-chloro-4-(propan-2-ylsulfonylamino)benzamide (CID 62997643) is 2-chloro-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 2-chloro-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for 2-chloro-4-(propan-2-ylsulfonylamino)benzamide is CC(C)S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is XICONPLLCDWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-6(2)17(15,16)13-7-3-4-8(10(12)14)9(11)5-7/h3-6,13H,1-2H3,(H2,12,14).
What are the key properties of 2-chloro-4-(propan-2-ylsulfonylamino)benzamide?
2-chloro-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 276.75 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 62997643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).