2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide

C12H17ClN2O3S — CID 81201760

IUPAC2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-7(2)15-12(16)8(3)19(17,18)11-6-9(14)4-5-10(11)13/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyISUFWPLLCCAUOA-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.61
Rot. Bonds4

About 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide

2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 81201760) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID81201760
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-7(2)15-12(16)8(3)19(17,18)11-6-9(14)4-5-10(11)13/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyISUFWPLLCCAUOA-UHFFFAOYSA-N
XLogP1.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.61
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-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81201862
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
CID 81181976
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
N-(5-amino-2-chlorophenyl)sulfonylacetamide
CID 90103999
2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 43305454
2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 81202646
2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
CID 82839375
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81176298
2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
CID 81200717
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide (CID 81201760) is 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide?
The InChIKey is ISUFWPLLCCAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-7(2)15-12(16)8(3)19(17,18)11-6-9(14)4-5-10(11)13/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide?
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 304.80 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 81201760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).