N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide

C13H19ClN2O3S — CID 66256512

IUPACN-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-5-13(3,4)12(17)16-11-8(2)6-9(7-10(11)14)20(15,18)19/h6-7H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyDLTRASSRRWKBCM-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.67
Rot. Bonds4

About N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide

N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide (PubChem CID 66256512) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
PubChem CID66256512
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-5-13(3,4)12(17)16-11-8(2)6-9(7-10(11)14)20(15,18)19/h6-7H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyDLTRASSRRWKBCM-UHFFFAOYSA-N
XLogP2.67
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 83154243
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
2-(2,2-dimethylbutanoylamino)-3,5-dimethylbenzoic acid
CID 55176919
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide (CID 66256512) is N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
The InChIKey is DLTRASSRRWKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-5-13(3,4)12(17)16-11-8(2)6-9(7-10(11)14)20(15,18)19/h6-7H,5H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide has a molecular weight of 318.83 g/mol, XLogP of 2.67, 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)-2,2-dimethylbutanamide is sourced from PubChem (CID 66256512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).