1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea

C17H20ClN3O3S — CID 1226693

IUPAC1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-17(2,3)21-25(23,24)15-9-7-13(8-10-15)19-16(22)20-14-6-4-5-12(18)11-14/h4-11,21H,1-3H3,(H2,19,20,22)
InChIKeyOYZMTIMQKLIDIY-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea

1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 1226693) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID1226693
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-17(2,3)21-25(23,24)15-9-7-13(8-10-15)19-16(22)20-14-6-4-5-12(18)11-14/h4-11,21H,1-3H3,(H2,19,20,22)
InChIKeyOYZMTIMQKLIDIY-UHFFFAOYSA-N
XLogP4.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
CID 168763640
CID 168763640
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chlorophenyl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 54782827
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea (CID 1226693) is 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is OYZMTIMQKLIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-17(2,3)21-25(23,24)15-9-7-13(8-10-15)19-16(22)20-14-6-4-5-12(18)11-14/h4-11,21H,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea?
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 381.89 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 1226693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).