N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide

C13H17ClN2O3S — CID 83154243

IUPACN-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
SMILESCc1cc(S(N)(=O)=O)cc(Cl)c1NC(=O)C(C)C1CC1
InChIInChI=1S/C13H17ClN2O3S/c1-7-5-10(20(15,18)19)6-11(14)12(7)16-13(17)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYGEMOFBANYBOAD-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.28
Rot. Bonds4

About N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide

N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide (PubChem CID 83154243) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
PubChem CID83154243
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
SMILESCc1cc(S(N)(=O)=O)cc(Cl)c1NC(=O)C(C)C1CC1
InChIInChI=1S/C13H17ClN2O3S/c1-7-5-10(20(15,18)19)6-11(14)12(7)16-13(17)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYGEMOFBANYBOAD-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940
4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
CID 83154456
N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide (CID 83154243) is N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide is Cc1cc(S(N)(=O)=O)cc(Cl)c1NC(=O)C(C)C1CC1.
What is the InChIKey of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide?
The InChIKey is YGEMOFBANYBOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-7-5-10(20(15,18)19)6-11(14)12(7)16-13(17)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide?
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide has a molecular weight of 316.81 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83154243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).