1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea

C17H20ClN3O3S — CID 52502640

IUPAC1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea
SMILESC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-12(13-7-9-14(18)10-8-13)19-17(22)20-15-5-4-6-16(11-15)25(23,24)21(2)3/h4-12H,1-3H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyWGPXJQKIJAWGKI-LBPRGKRZSA-N
MW381.89 g/mol
LogP3.47
Rot. Bonds5

About 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea

1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea (PubChem CID 52502640) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea
PubChem CID52502640
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea
SMILESC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-12(13-7-9-14(18)10-8-13)19-17(22)20-15-5-4-6-16(11-15)25(23,24)21(2)3/h4-12H,1-3H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyWGPXJQKIJAWGKI-LBPRGKRZSA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 42989899
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
1-[1-(4-chlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 17182454
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042
(2S)-2-(2,3-dimethylphenyl)-2-[[3-(dimethylsulfamoyl)phenyl]carbamoylamino]acetic acid
CID 100651705
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea?
The IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea (CID 52502640) is 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea is C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea?
The InChIKey is WGPXJQKIJAWGKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-12(13-7-9-14(18)10-8-13)19-17(22)20-15-5-4-6-16(11-15)25(23,24)21(2)3/h4-12H,1-3H3,(H2,19,20,22)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea?
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea has a molecular weight of 381.89 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea is sourced from PubChem (CID 52502640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).