1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea

C11H10ClN5O4S — CID 88777457

IUPAC1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H10ClN5O4S/c1-21-11-14-8(12)13-9(16-11)15-10(18)17-22(19,20)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17,18)
InChIKeyQPURUCSODOXGRM-UHFFFAOYSA-N
MW343.75 g/mol
LogP1.04
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea

1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea (PubChem CID 88777457) has the molecular formula C11H10ClN5O4S and a molecular weight of 343.75 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
PubChem CID88777457
Molecular FormulaC11H10ClN5O4S
Molecular Weight343.75 g/mol
Exact Mass343.01
IUPAC Name1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H10ClN5O4S/c1-21-11-14-8(12)13-9(16-11)15-10(18)17-22(19,20)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17,18)
InChIKeyQPURUCSODOXGRM-UHFFFAOYSA-N
XLogP1.04
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
CID 23044833
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea
CID 1263282
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 12875194
sodium;1-[4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea;hydride
CID 173259349
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 173067641
1-[2-chloro-6-(1-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 19912242
1-[2-(cyclopropylmethoxy)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 70527394
1-[2-[(E)-but-2-enoxy]phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 13321801
CID 88679981
CID 88679981
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
CID 134116858

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea (CID 88777457) is 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea is COc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea?
The InChIKey is QPURUCSODOXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O4S/c1-21-11-14-8(12)13-9(16-11)15-10(18)17-22(19,20)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17,18).
What are the key properties of 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea?
1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea has a molecular weight of 343.75 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 88777457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).