5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C18H23ClN2O2S2 — CID 16932884

IUPAC5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccsc1)N1CCCCC1
InChIInChI=1S/C18H23ClN2O2S2/c1-14-5-6-16(19)11-18(14)25(22,23)20-12-17(15-7-10-24-13-15)21-8-3-2-4-9-21/h5-7,10-11,13,17,20H,2-4,8-9,12H2,1H3
InChIKeyMVKGZOQHPVPNGH-UHFFFAOYSA-N
MW398.98 g/mol
LogP4.22
Rot. Bonds6

About 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16932884) has the molecular formula C18H23ClN2O2S2 and a molecular weight of 398.98 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16932884
Molecular FormulaC18H23ClN2O2S2
Molecular Weight398.98 g/mol
Exact Mass398.09
IUPAC Name5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccsc1)N1CCCCC1
InChIInChI=1S/C18H23ClN2O2S2/c1-14-5-6-16(19)11-18(14)25(22,23)20-12-17(15-7-10-24-13-15)21-8-3-2-4-9-21/h5-7,10-11,13,17,20H,2-4,8-9,12H2,1H3
InChIKeyMVKGZOQHPVPNGH-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 16933225
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 40863927
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
3-chloro-4-fluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863071
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932983
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933016
N-[2,6-dimethyl-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
CID 16933080

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16932884) is 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccsc1)N1CCCCC1.
What is the InChIKey of 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is MVKGZOQHPVPNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S2/c1-14-5-6-16(19)11-18(14)25(22,23)20-12-17(15-7-10-24-13-15)21-8-3-2-4-9-21/h5-7,10-11,13,17,20H,2-4,8-9,12H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 398.98 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16932884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).