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

C16H18ClN3O3S — CID 24612359

IUPAC1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-10-3-6-13(9-15(10)17)20-16(21)19-11(2)12-4-7-14(8-5-12)24(18,22)23/h3-9,11H,1-2H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyCRPYUJCDOGGXOA-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.18
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 24612359) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID24612359
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-10-3-6-13(9-15(10)17)20-16(21)19-11(2)12-4-7-14(8-5-12)24(18,22)23/h3-9,11H,1-2H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyCRPYUJCDOGGXOA-UHFFFAOYSA-N
XLogP3.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
1-(3-bromo-4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78874719
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)thiourea
CID 2212502
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
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55701761

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (CID 24612359) is 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is Cc1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is CRPYUJCDOGGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-10-3-6-13(9-15(10)17)20-16(21)19-11(2)12-4-7-14(8-5-12)24(18,22)23/h3-9,11H,1-2H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 367.86 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 24612359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).