4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide

C15H19N3O2S — CID 82900050

IUPAC4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
SMILESCC(C)c1ccc(Nc2cc(S(N)(=O)=O)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(2)11-3-5-12(6-4-11)18-15-9-13(21(17,19)20)7-8-14(15)16/h3-10,18H,16H2,1-2H3,(H2,17,19,20)
InChIKeyZXBSNLPRCKSNLX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds4

About 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide

4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide (PubChem CID 82900050) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
PubChem CID82900050
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
SMILESCC(C)c1ccc(Nc2cc(S(N)(=O)=O)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(2)11-3-5-12(6-4-11)18-15-9-13(21(17,19)20)7-8-14(15)16/h3-10,18H,16H2,1-2H3,(H2,17,19,20)
InChIKeyZXBSNLPRCKSNLX-UHFFFAOYSA-N
XLogP2.78
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
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-(3,4-dichloroanilino)benzenesulfonamide
CID 82907760
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
CID 82898871

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide (CID 82900050) is 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide is CC(C)c1ccc(Nc2cc(S(N)(=O)=O)ccc2N)cc1.
What is the InChIKey of 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide?
The InChIKey is ZXBSNLPRCKSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)11-3-5-12(6-4-11)18-15-9-13(21(17,19)20)7-8-14(15)16/h3-10,18H,16H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide?
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide is sourced from PubChem (CID 82900050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).