2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide

C18H26ClN3O4S — CID 4233551

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H26ClN3O4S/c19-14-6-8-15(9-7-14)27(25,26)22-16(10-11-17(20)23)18(24)21-12-13-4-2-1-3-5-13/h6-9,13,16,22H,1-5,10-12H2,(H2,20,23)(H,21,24)
InChIKeyIAEHWGONAGJJNB-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.95
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide

2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide (PubChem CID 4233551) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide
PubChem CID4233551
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H26ClN3O4S/c19-14-6-8-15(9-7-14)27(25,26)22-16(10-11-17(20)23)18(24)21-12-13-4-2-1-3-5-13/h6-9,13,16,22H,1-5,10-12H2,(H2,20,23)(H,21,24)
InChIKeyIAEHWGONAGJJNB-UHFFFAOYSA-N
XLogP1.95
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
(2R)-2-[benzyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71458731
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 8145904
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11069884
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11111892
6-Benzyl-4-(4-chlorobenzenesulfonyl)-1,4-diazepan-2,5-dione
CID 44439950
N-benzyl-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444017
4-chloro-N-(3-methylbutyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444081
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide
CID 44444087
4-[[2-[(4-Chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035368
4-Chloro-N-(2-oxo-azepan-3-yl)-benzenesulfonamide
CID 2738683

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide (CID 4233551) is 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide is NC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide?
The InChIKey is IAEHWGONAGJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4S/c19-14-6-8-15(9-7-14)27(25,26)22-16(10-11-17(20)23)18(24)21-12-13-4-2-1-3-5-13/h6-9,13,16,22H,1-5,10-12H2,(H2,20,23)(H,21,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide has a molecular weight of 415.94 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(cyclohexylmethyl)pentanediamide is sourced from PubChem (CID 4233551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).