4-amino-3-(4-propylanilino)benzenesulfonamide

C15H19N3O2S — CID 82900056

IUPAC4-amino-3-(4-propylanilino)benzenesulfonamide
SMILESCCCc1ccc(Nc2cc(S(N)(=O)=O)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-3-11-4-6-12(7-5-11)18-15-10-13(21(17,19)20)8-9-14(15)16/h4-10,18H,2-3,16H2,1H3,(H2,17,19,20)
InChIKeyKDYXHVDSQULVOY-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.61
Rot. Bonds5

About 4-amino-3-(4-propylanilino)benzenesulfonamide

4-amino-3-(4-propylanilino)benzenesulfonamide (PubChem CID 82900056) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-3-(4-propylanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-propylanilino)benzenesulfonamide
PubChem CID82900056
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-3-(4-propylanilino)benzenesulfonamide
SMILESCCCc1ccc(Nc2cc(S(N)(=O)=O)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-3-11-4-6-12(7-5-11)18-15-10-13(21(17,19)20)8-9-14(15)16/h4-10,18H,2-3,16H2,1H3,(H2,17,19,20)
InChIKeyKDYXHVDSQULVOY-UHFFFAOYSA-N
XLogP2.61
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-iodoanilino)benzenesulfonamide
CID 82907832
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
CID 82899653
4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
CID 82907760
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046
2-N-(4-butylphenyl)-4-fluorobenzene-1,2-diamine
CID 63403132
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-propylanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(4-propylanilino)benzenesulfonamide (CID 82900056) is 4-amino-3-(4-propylanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-propylanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-propylanilino)benzenesulfonamide is CCCc1ccc(Nc2cc(S(N)(=O)=O)ccc2N)cc1.
What is the InChIKey of 4-amino-3-(4-propylanilino)benzenesulfonamide?
The InChIKey is KDYXHVDSQULVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-3-11-4-6-12(7-5-11)18-15-10-13(21(17,19)20)8-9-14(15)16/h4-10,18H,2-3,16H2,1H3,(H2,17,19,20).
What are the key properties of 4-amino-3-(4-propylanilino)benzenesulfonamide?
4-amino-3-(4-propylanilino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-propylanilino)benzenesulfonamide is sourced from PubChem (CID 82900056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).