1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea

C18H22ClN3O3S — CID 174454675

IUPAC1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea
SMILESCCc1cccc(Cl)c1CCNC(=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-2-14-4-3-5-17(19)16(14)10-11-21-18(23)22-26(24,25)15-8-6-13(12-20)7-9-15/h3-9H,2,10-12,20H2,1H3,(H2,21,22,23)
InChIKeyNZZDCYGAIUZXER-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.59
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea

1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea (PubChem CID 174454675) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea
PubChem CID174454675
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea
SMILESCCc1cccc(Cl)c1CCNC(=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-2-14-4-3-5-17(19)16(14)10-11-21-18(23)22-26(24,25)15-8-6-13(12-20)7-9-15/h3-9H,2,10-12,20H2,1H3,(H2,21,22,23)
InChIKeyNZZDCYGAIUZXER-UHFFFAOYSA-N
XLogP2.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-[4-(5-chloro-2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]urea
CID 172814931
CID 159827963
CID 159827963
1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea
CID 154175868
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-[4-(4-chloro-2-ethylbenzimidazol-1-yl)phenyl]-2-methylpropyl]urea
CID 151543042
1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea
CID 130453827
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea (CID 174454675) is 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea is CCc1cccc(Cl)c1CCNC(=O)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea?
The InChIKey is NZZDCYGAIUZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-2-14-4-3-5-17(19)16(14)10-11-21-18(23)22-26(24,25)15-8-6-13(12-20)7-9-15/h3-9H,2,10-12,20H2,1H3,(H2,21,22,23).
What are the key properties of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea?
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea has a molecular weight of 395.91 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea is sourced from PubChem (CID 174454675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).