1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea

C10H8Cl2N6O3S — CID 134116858

IUPAC1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
SMILESNc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C10H8Cl2N6O3S/c11-5-3-1-2-4-6(5)22(20,21)18-10(19)17-9-15-7(12)14-8(13)16-9/h1-4H,(H4,13,14,15,16,17,18,19)
InChIKeyINZJRSPHVZZBOS-UHFFFAOYSA-N
MW363.19 g/mol
LogP1.27
Rot. Bonds3

About 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea

1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea (PubChem CID 134116858) has the molecular formula C10H8Cl2N6O3S and a molecular weight of 363.19 g/mol. Its IUPAC name is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
PubChem CID134116858
Molecular FormulaC10H8Cl2N6O3S
Molecular Weight363.19 g/mol
Exact Mass361.98
IUPAC Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
SMILESNc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C10H8Cl2N6O3S/c11-5-3-1-2-4-6(5)22(20,21)18-10(19)17-9-15-7(12)14-8(13)16-9/h1-4H,(H4,13,14,15,16,17,18,19)
InChIKeyINZJRSPHVZZBOS-UHFFFAOYSA-N
XLogP1.27
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea
CID 14724296
1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 1376682
methyl 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 146679051
1-(2-chlorophenyl)sulfonyl-3-[4-(cyanomethoxy)-6-methylsulfanyl-1,3,5-triazin-2-yl]urea
CID 110189814
1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
CID 6610584
1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
CID 88777457
1-(2-chlorophenyl)sulfonyl-3-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-methylsulfanyl-1,2,4-triazol-3-yl]urea
CID 110192945
1-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]-3-(2-chlorophenyl)sulfonylurea
CID 110192008
prop-2-enyl N-[[2-[(2-chlorophenyl)sulfonylcarbamoylamino]-6-methylpyrimidin-4-yl]-methylamino]carbamodithioate
CID 3639083
1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea
CID 150889345
6-chloro-2-N-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163825

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea?
The IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea (CID 134116858) is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea is Nc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea?
The InChIKey is INZJRSPHVZZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N6O3S/c11-5-3-1-2-4-6(5)22(20,21)18-10(19)17-9-15-7(12)14-8(13)16-9/h1-4H,(H4,13,14,15,16,17,18,19).
What are the key properties of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea?
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea has a molecular weight of 363.19 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea is sourced from PubChem (CID 134116858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).