4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide

C15H13ClN6O2S — CID 24877657

IUPAC4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H13ClN6O2S/c16-13-20-14(18-10-4-2-1-3-5-10)22-15(21-13)19-11-6-8-12(9-7-11)25(17,23)24/h1-9H,(H2,17,23,24)(H2,18,19,20,21,22)
InChIKeyVGEOKMJZNOMHTI-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.66
Rot. Bonds5

About 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide

4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide (PubChem CID 24877657) has the molecular formula C15H13ClN6O2S and a molecular weight of 376.83 g/mol. Its IUPAC name is 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
PubChem CID24877657
Molecular FormulaC15H13ClN6O2S
Molecular Weight376.83 g/mol
Exact Mass376.05
IUPAC Name4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H13ClN6O2S/c16-13-20-14(18-10-4-2-1-3-5-10)22-15(21-13)19-11-6-8-12(9-7-11)25(17,23)24/h1-9H,(H2,17,23,24)(H2,18,19,20,21,22)
InChIKeyVGEOKMJZNOMHTI-UHFFFAOYSA-N
XLogP2.66
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
Benzenesulfonamide, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CID 10018880
4-({4-Chloro-6-[(2-Hydroxyethyl)amino]-1,3,5-Triazin-2-Yl}amino)benzenesulfonamide
CID 51035422
4-[5-Amino-1-(2,6-difluoro-benzenesulfonyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonamide
CID 5330810
4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395202
Benzenesulfonic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, sodium salt (1:1)
CID 23678877
5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
CID 145998262
4-amino-N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
CID 911874
4-(4,6-Dimethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395107
4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 73894059
4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
CID 1118024
3-[[4-Chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 15953784

Frequently Asked Questions

What is the IUPAC name of 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide (CID 24877657) is 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The InChIKey is VGEOKMJZNOMHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2S/c16-13-20-14(18-10-4-2-1-3-5-10)22-15(21-13)19-11-6-8-12(9-7-11)25(17,23)24/h1-9H,(H2,17,23,24)(H2,18,19,20,21,22).
What are the key properties of 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide has a molecular weight of 376.83 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 24877657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).