N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide

C14H21ClN2O3S — CID 9451643

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,3)9-13(18)16-10-6-7-11(15)12(8-10)21(19,20)17(4)5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyYYGSOBAVJLSDPE-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.96
Rot. Bonds4

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 9451643) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
PubChem CID9451643
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,3)9-13(18)16-10-6-7-11(15)12(8-10)21(19,20)17(4)5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyYYGSOBAVJLSDPE-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
CID 46573593
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 7810899
2-chloro-N-[3-chloro-4-(dimethylsulfamoyl)phenyl]acetamide
CID 172616646
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide
CID 3314091
1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea
CID 3398700
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908447

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide (CID 9451643) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide is CN(C)S(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is YYGSOBAVJLSDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-14(2,3)9-13(18)16-10-6-7-11(15)12(8-10)21(19,20)17(4)5/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 332.85 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 9451643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).