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

C21H16Cl2N4O3S — CID 57266988

IUPAC1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea
SMILESN#Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C21H16Cl2N4O3S/c22-17-7-4-8-19(20(17)23)26-21(28)25-16-9-10-18(15(11-16)12-24)27-31(29,30)13-14-5-2-1-3-6-14/h1-11,27H,13H2,(H2,25,26,28)
InChIKeyNJFHMJBLYSHSDK-UHFFFAOYSA-N
MW475.36 g/mol
LogP5.45
Rot. Bonds6

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

1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 57266988) has the molecular formula C21H16Cl2N4O3S and a molecular weight of 475.36 g/mol. Its IUPAC name is 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID57266988
Molecular FormulaC21H16Cl2N4O3S
Molecular Weight475.36 g/mol
Exact Mass474.03
IUPAC Name1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea
SMILESN#Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C21H16Cl2N4O3S/c22-17-7-4-8-19(20(17)23)26-21(28)25-16-9-10-18(15(11-16)12-24)27-31(29,30)13-14-5-2-1-3-6-14/h1-11,27H,13H2,(H2,25,26,28)
InChIKeyNJFHMJBLYSHSDK-UHFFFAOYSA-N
XLogP5.45
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.36
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
CID 10367029
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea (CID 57266988) is 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea is N#Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is NJFHMJBLYSHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O3S/c22-17-7-4-8-19(20(17)23)26-21(28)25-16-9-10-18(15(11-16)12-24)27-31(29,30)13-14-5-2-1-3-6-14/h1-11,27H,13H2,(H2,25,26,28).
What are the key properties of 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea?
1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 475.36 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylsulfonylamino)-3-cyanophenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 57266988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).