1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H16ClN3O3S — CID 1130083

IUPAC1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyVPDAMEWDQFFXRN-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 1130083) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID1130083
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyVPDAMEWDQFFXRN-UHFFFAOYSA-N
XLogP2.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 160562971
1-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-(4-chlorophenyl)urea
CID 108782131
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 1130083) is 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is VPDAMEWDQFFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 353.83 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 1130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).