3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide

C12H17ClN2O3S — CID 62727374

IUPAC3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C(C)CCl)c1C
InChIInChI=1S/C12H17ClN2O3S/c1-7-4-10(19(14,17)18)5-11(9(7)3)15-12(16)8(2)6-13/h4-5,8H,6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyMGPYYLQRQJQXMI-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.76
Rot. Bonds4

About 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide

3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide (PubChem CID 62727374) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
PubChem CID62727374
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C(C)CCl)c1C
InChIInChI=1S/C12H17ClN2O3S/c1-7-4-10(19(14,17)18)5-11(9(7)3)15-12(16)8(2)6-13/h4-5,8H,6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyMGPYYLQRQJQXMI-UHFFFAOYSA-N
XLogP1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 9257354
1-butyl-3-(2,3-dimethyl-5-sulfamoylphenyl)urea
CID 60654305
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 43684712

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide (CID 62727374) is 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C(C)CCl)c1C.
What is the InChIKey of 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide?
The InChIKey is MGPYYLQRQJQXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-7-4-10(19(14,17)18)5-11(9(7)3)15-12(16)8(2)6-13/h4-5,8H,6H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide?
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide has a molecular weight of 304.80 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide is sourced from PubChem (CID 62727374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).