1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea

C23H30ClN3O3S — CID 68950856

IUPAC1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
SMILESCC(CC1CCCCC1)NCc1ccccc1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN3O3S/c1-17(15-18-7-3-2-4-8-18)25-16-19-9-5-6-10-22(19)26-23(28)27-31(29,30)21-13-11-20(24)12-14-21/h5-6,9-14,17-18,25H,2-4,7-8,15-16H2,1H3,(H2,26,27,28)
InChIKeyPAUHKONVQPILCQ-UHFFFAOYSA-N
MW464.03 g/mol
LogP5.30
Rot. Bonds8

About 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea

1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea (PubChem CID 68950856) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
PubChem CID68950856
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
SMILESCC(CC1CCCCC1)NCc1ccccc1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN3O3S/c1-17(15-18-7-3-2-4-8-18)25-16-19-9-5-6-10-22(19)26-23(28)27-31(29,30)21-13-11-20(24)12-14-21/h5-6,9-14,17-18,25H,2-4,7-8,15-16H2,1H3,(H2,26,27,28)
InChIKeyPAUHKONVQPILCQ-UHFFFAOYSA-N
XLogP5.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.03
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]guanidine
CID 87633952
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
CID 68953823
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
N-[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]nonanamide
CID 68951708
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
4-(benzenesulfonyl)-N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]piperazine-1-carboxamide
CID 68953647
N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 68951696
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 68948948
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea (CID 68950856) is 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea is CC(CC1CCCCC1)NCc1ccccc1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea?
The InChIKey is PAUHKONVQPILCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-17(15-18-7-3-2-4-8-18)25-16-19-9-5-6-10-22(19)26-23(28)27-31(29,30)21-13-11-20(24)12-14-21/h5-6,9-14,17-18,25H,2-4,7-8,15-16H2,1H3,(H2,26,27,28).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea?
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea has a molecular weight of 464.03 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea is sourced from PubChem (CID 68950856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).