N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide

C20H31N3O3S — CID 1006987

IUPACN-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-22-13-15-23(16-14-22)20(24)12-9-17-7-10-19(11-8-17)27(25,26)21-18-5-3-2-4-6-18/h7-8,10-11,18,21H,2-6,9,12-16H2,1H3
InChIKeyWAOLXFIFHJJZQZ-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.00
Rot. Bonds6

About N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide

N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 1006987) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID1006987
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-22-13-15-23(16-14-22)20(24)12-9-17-7-10-19(11-8-17)27(25,26)21-18-5-3-2-4-6-18/h7-8,10-11,18,21H,2-6,9,12-16H2,1H3
InChIKeyWAOLXFIFHJJZQZ-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
N-{4-[(1S)-1-amino-2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]cyclohexyl}-2,4-difluorobenzene-1-sulfonamide
CID 23645581
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
4-Tapap
CID 133476
3-[(2s)-2-{[(4-Methylphenyl)sulfonyl]amino}-3-Oxo-3-Piperidin-1-Ylpropyl]benzenecarboximidamide
CID 447889
Sulfonamide deriv., 7c
CID 3433937
(4R,5R)-5-Amino-1-(4-(methylsulfonyl)phenethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16202787
Cyclohexylglycine derived inhibitor, 6
CID 23647712
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 1006987) is N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide is CN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is WAOLXFIFHJJZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-22-13-15-23(16-14-22)20(24)12-9-17-7-10-19(11-8-17)27(25,26)21-18-5-3-2-4-6-18/h7-8,10-11,18,21H,2-6,9,12-16H2,1H3.
What are the key properties of N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 393.55 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 1006987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).