N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide

C11H14ClNO3S — CID 47269831

IUPACN-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-17(15,16)9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyGNFSRHGZEXIIHR-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.19
Rot. Bonds2

About N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide

N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide (PubChem CID 47269831) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
PubChem CID47269831
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-17(15,16)9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyGNFSRHGZEXIIHR-UHFFFAOYSA-N
XLogP2.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
CID 47130286
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
(3-chlorophenyl)sulfonylurea
CID 117060605
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 146125461
1-(3-chlorophenyl)sulfonyl-3-(2-sulfanylethyl)urea
CID 44587907
3-chlorobenzenesulfonohydrazide
CID 12924057
N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide
CID 87011358
[(3-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]urea
CID 177035624
1-(3-chlorophenyl)sulfonyl-3-propylthiourea
CID 119088818

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide (CID 47269831) is N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
The InChIKey is GNFSRHGZEXIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-17(15,16)9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide has a molecular weight of 275.76 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide is sourced from PubChem (CID 47269831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).