1-(3-amino-4-chlorophenyl)propane-2-sulfonamide

C9H13ClN2O2S — CID 91050582

IUPAC1-(3-amino-4-chlorophenyl)propane-2-sulfonamide
SMILESCC(Cc1ccc(Cl)c(N)c1)S(N)(=O)=O
InChIInChI=1S/C9H13ClN2O2S/c1-6(15(12,13)14)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,11H2,1H3,(H2,12,13,14)
InChIKeyRRCUNDKMTHQRHN-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.14
Rot. Bonds3

About 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide

1-(3-amino-4-chlorophenyl)propane-2-sulfonamide (PubChem CID 91050582) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)propane-2-sulfonamide
PubChem CID91050582
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-(3-amino-4-chlorophenyl)propane-2-sulfonamide
SMILESCC(Cc1ccc(Cl)c(N)c1)S(N)(=O)=O
InChIInChI=1S/C9H13ClN2O2S/c1-6(15(12,13)14)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,11H2,1H3,(H2,12,13,14)
InChIKeyRRCUNDKMTHQRHN-UHFFFAOYSA-N
XLogP1.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)propane-2-sulfonamide
CID 66973712
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
2-[(3-amino-4-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 54988874
2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
CID 55001079
2-chloro-5-(3-methylbutan-2-ylsulfanylmethyl)aniline
CID 107748811
2-chloro-5-(methylsulfanylmethyl)aniline
CID 54594216
2-chloro-5-(methoxymethyl)aniline
CID 43349916
2-chloro-5-(1-chloroethylsulfonyl)aniline
CID 22411872
1-(furan-3-yl)propane-2-sulfonamide
CID 150211021
1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116552334
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide (CID 91050582) is 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide is CC(Cc1ccc(Cl)c(N)c1)S(N)(=O)=O.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide?
The InChIKey is RRCUNDKMTHQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-6(15(12,13)14)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide?
1-(3-amino-4-chlorophenyl)propane-2-sulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 91050582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).