2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide

C10H13ClN2O3S — CID 75841470

IUPAC2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(N)=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O3S/c1-6-3-4-9(8(11)5-6)17(15,16)13-7(2)10(12)14/h3-5,7,13H,1-2H3,(H2,12,14)
InChIKeyCAMDBSHOLVPVAG-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.80
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide

2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide (PubChem CID 75841470) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
PubChem CID75841470
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(N)=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O3S/c1-6-3-4-9(8(11)5-6)17(15,16)13-7(2)10(12)14/h3-5,7,13H,1-2H3,(H2,12,14)
InChIKeyCAMDBSHOLVPVAG-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
CID 80998367
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide
CID 24629157
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid
CID 43545481
2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
CID 54889044
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide (CID 75841470) is 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(C)C(N)=O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is CAMDBSHOLVPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-6-3-4-9(8(11)5-6)17(15,16)13-7(2)10(12)14/h3-5,7,13H,1-2H3,(H2,12,14).
What are the key properties of 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide?
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 276.75 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 75841470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).