1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea

C20H14Cl2N4O3S — CID 10367029

IUPAC1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H14Cl2N4O3S/c21-15-7-4-8-17(19(15)22)25-20(27)24-16-10-9-13(12-23)11-18(16)26-30(28,29)14-5-2-1-3-6-14/h1-11,26H,(H2,24,25,27)
InChIKeyXMMCBSCKXNWDDS-UHFFFAOYSA-N
MW461.33 g/mol
LogP5.31
Rot. Bonds5

About 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea

1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 10367029) has the molecular formula C20H14Cl2N4O3S and a molecular weight of 461.33 g/mol. Its IUPAC name is 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID10367029
Molecular FormulaC20H14Cl2N4O3S
Molecular Weight461.33 g/mol
Exact Mass460.02
IUPAC Name1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H14Cl2N4O3S/c21-15-7-4-8-17(19(15)22)25-20(27)24-16-10-9-13(12-23)11-18(16)26-30(28,29)14-5-2-1-3-6-14/h1-11,26H,(H2,24,25,27)
InChIKeyXMMCBSCKXNWDDS-UHFFFAOYSA-N
XLogP5.31
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.33
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
CID 22011348
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-nitrophenyl)urea
CID 21184794
1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea
CID 57266988
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 45273664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea (CID 10367029) is 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea is N#Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is XMMCBSCKXNWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O3S/c21-15-7-4-8-17(19(15)22)25-20(27)24-16-10-9-13(12-23)11-18(16)26-30(28,29)14-5-2-1-3-6-14/h1-11,26H,(H2,24,25,27).
What are the key properties of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 461.33 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 10367029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).