N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide

C16H17ClN2O2S2 — CID 113083891

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)s1
InChIInChI=1S/C16H17ClN2O2S2/c1-2-13-4-6-16(22-13)23(20,21)19-8-7-11-10-18-15-9-12(17)3-5-14(11)15/h3-6,9-10,18-19H,2,7-8H2,1H3
InChIKeyCPWOGXMVNKQFMQ-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 113083891) has the molecular formula C16H17ClN2O2S2 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID113083891
Molecular FormulaC16H17ClN2O2S2
Molecular Weight368.91 g/mol
Exact Mass368.04
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)s1
InChIInChI=1S/C16H17ClN2O2S2/c1-2-13-4-6-16(22-13)23(20,21)19-8-7-11-10-18-15-9-12(17)3-5-14(11)15/h3-6,9-10,18-19H,2,7-8H2,1H3
InChIKeyCPWOGXMVNKQFMQ-UHFFFAOYSA-N
XLogP3.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-chloro-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113083889
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 113083875
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 110326084
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide (CID 113083891) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)s1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is CPWOGXMVNKQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S2/c1-2-13-4-6-16(22-13)23(20,21)19-8-7-11-10-18-15-9-12(17)3-5-14(11)15/h3-6,9-10,18-19H,2,7-8H2,1H3.
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 368.91 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113083891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).