1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea

C17H20ClN3O4S — CID 4803245

IUPAC1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-3-10-19-17(22)20-16-11-14(8-9-15(16)18)26(23,24)21-12-4-6-13(25-2)7-5-12/h4-9,11,21H,3,10H2,1-2H3,(H2,19,20,22)
InChIKeyPTQJSCDNWVGWKF-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.68
Rot. Bonds7

About 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea

1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea (PubChem CID 4803245) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
PubChem CID4803245
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-3-10-19-17(22)20-16-11-14(8-9-15(16)18)26(23,24)21-12-4-6-13(25-2)7-5-12/h4-9,11,21H,3,10H2,1-2H3,(H2,19,20,22)
InChIKeyPTQJSCDNWVGWKF-UHFFFAOYSA-N
XLogP3.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803273
1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4799139
(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 25335054
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3358503
5-[(4-methoxyphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058967
5-[(4-chlorophenyl)sulfamoyl]-2-methoxy-N-propylbenzamide
CID 27262052
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-(4-amino-3,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24563955
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968
N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 3548859

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
The IUPAC name of 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea (CID 4803245) is 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
The canonical SMILES for 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea is CCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
The InChIKey is PTQJSCDNWVGWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-3-10-19-17(22)20-16-11-14(8-9-15(16)18)26(23,24)21-12-4-6-13(25-2)7-5-12/h4-9,11,21H,3,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea has a molecular weight of 397.88 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea is sourced from PubChem (CID 4803245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).