3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide

C10H13ClN2O3S — CID 81181815

IUPAC3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(CS(=O)(=O)c1ccc(N)cc1Cl)C(N)=O
InChIInChI=1S/C10H13ClN2O3S/c1-6(10(13)14)5-17(15,16)9-3-2-7(12)4-8(9)11/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyUCSFNJRTFPDKLW-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.82
Rot. Bonds4

About 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide

3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 81181815) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID81181815
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(CS(=O)(=O)c1ccc(N)cc1Cl)C(N)=O
InChIInChI=1S/C10H13ClN2O3S/c1-6(10(13)14)5-17(15,16)9-3-2-7(12)4-8(9)11/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyUCSFNJRTFPDKLW-UHFFFAOYSA-N
XLogP0.82
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
3-chloro-4-(3-ethylsulfonylpropylsulfonyl)aniline
CID 81182563
3-chloro-4-[2-(3-methylbutoxy)ethylsulfonyl]aniline
CID 81182642
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
4-amino-2-chlorobenzenesulfonamide
CID 12533522
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
CID 81181976
4-chloro-3-(2-ethylbutylsulfonyl)aniline
CID 82935838
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143
3-chloro-4-(2-pyrrolidin-1-ylethylsulfonyl)aniline
CID 107914389

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide (CID 81181815) is 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide is CC(CS(=O)(=O)c1ccc(N)cc1Cl)C(N)=O.
What is the InChIKey of 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is UCSFNJRTFPDKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-6(10(13)14)5-17(15,16)9-3-2-7(12)4-8(9)11/h2-4,6H,5,12H2,1H3,(H2,13,14).
What are the key properties of 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide?
3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 276.75 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 81181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).