N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide

C18H23ClN2O2S2 — CID 16933225

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C18H23ClN2O2S2/c19-16-7-3-4-8-18(16)25(22,23)20-13-17(15-9-12-24-14-15)21-10-5-1-2-6-11-21/h3-4,7-9,12,14,17,20H,1-2,5-6,10-11,13H2
InChIKeyVEFZITFQWBDHCF-UHFFFAOYSA-N
MW398.98 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide (PubChem CID 16933225) has the molecular formula C18H23ClN2O2S2 and a molecular weight of 398.98 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
PubChem CID16933225
Molecular FormulaC18H23ClN2O2S2
Molecular Weight398.98 g/mol
Exact Mass398.09
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C18H23ClN2O2S2/c19-16-7-3-4-8-18(16)25(22,23)20-13-17(15-9-12-24-14-15)21-10-5-1-2-6-11-21/h3-4,7-9,12,14,17,20H,1-2,5-6,10-11,13H2
InChIKeyVEFZITFQWBDHCF-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 40863927
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932884
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
3-chloro-4-fluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863071
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide (CID 16933225) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide is O=S(=O)(NCC(c1ccsc1)N1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide?
The InChIKey is VEFZITFQWBDHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S2/c19-16-7-3-4-8-18(16)25(22,23)20-13-17(15-9-12-24-14-15)21-10-5-1-2-6-11-21/h3-4,7-9,12,14,17,20H,1-2,5-6,10-11,13H2.
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide has a molecular weight of 398.98 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 16933225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).