3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

C19H28ClN3O4S — CID 2964001

IUPAC3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)CC1
InChIInChI=1S/C19H28ClN3O4S/c1-22-9-11-23(12-10-22)19(24)14-27-18-8-7-16(13-17(18)20)28(25,26)21-15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3
InChIKeySEWZAJGVVWEOKI-UHFFFAOYSA-N
MW429.97 g/mol
LogP2.10
Rot. Bonds6

About 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (PubChem CID 2964001) has the molecular formula C19H28ClN3O4S and a molecular weight of 429.97 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
PubChem CID2964001
Molecular FormulaC19H28ClN3O4S
Molecular Weight429.97 g/mol
Exact Mass429.15
IUPAC Name3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)CC1
InChIInChI=1S/C19H28ClN3O4S/c1-22-9-11-23(12-10-22)19(24)14-27-18-8-7-16(13-17(18)20)28(25,26)21-15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3
InChIKeySEWZAJGVVWEOKI-UHFFFAOYSA-N
XLogP2.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (CID 2964001) is 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is CN1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)CC1.
What is the InChIKey of 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The InChIKey is SEWZAJGVVWEOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O4S/c1-22-9-11-23(12-10-22)19(24)14-27-18-8-7-16(13-17(18)20)28(25,26)21-15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3.
What are the key properties of 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide has a molecular weight of 429.97 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 2964001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).