1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea

C20H18ClN3O5S2 — CID 138617489

IUPAC1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O5S2/c1-14-10-12-15(13-11-14)30(26,27)24-20(25)22-18-8-4-5-9-19(18)31(28,29)23-17-7-3-2-6-16(17)21/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyJPSJOYIHAIFOEX-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.96
Rot. Bonds6

About 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea

1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 138617489) has the molecular formula C20H18ClN3O5S2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID138617489
Molecular FormulaC20H18ClN3O5S2
Molecular Weight479.97 g/mol
Exact Mass479.04
IUPAC Name1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O5S2/c1-14-10-12-15(13-11-14)30(26,27)24-20(25)22-18-8-4-5-9-19(18)31(28,29)23-17-7-3-2-6-16(17)21/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyJPSJOYIHAIFOEX-UHFFFAOYSA-N
XLogP3.96
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylamino]benzoate
CID 138617468
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfonylthiourea
CID 139645074
1-[2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 57391244
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
(2-chlorophenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564866

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea (CID 138617489) is 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is JPSJOYIHAIFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O5S2/c1-14-10-12-15(13-11-14)30(26,27)24-20(25)22-18-8-4-5-9-19(18)31(28,29)23-17-7-3-2-6-16(17)21/h2-13,23H,1H3,(H2,22,24,25).
What are the key properties of 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 479.97 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 138617489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).