1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea

C16H18ClN3O4S — CID 55696466

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-10(11-3-6-13(7-4-11)25(18,22)23)19-16(21)20-12-5-8-15(24-2)14(17)9-12/h3-10H,1-2H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyXZLMTTIRWOBQPF-UHFFFAOYSA-N
MW383.86 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea

1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55696466) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55696466
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-10(11-3-6-13(7-4-11)25(18,22)23)19-16(21)20-12-5-8-15(24-2)14(17)9-12/h3-10H,1-2H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyXZLMTTIRWOBQPF-UHFFFAOYSA-N
XLogP2.88
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3-sulfamoylphenyl)urea
CID 47065590
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 944223
1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 51945151
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (CID 55696466) is 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is COc1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is XZLMTTIRWOBQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-10(11-3-6-13(7-4-11)25(18,22)23)19-16(21)20-12-5-8-15(24-2)14(17)9-12/h3-10H,1-2H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 383.86 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55696466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).