3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

C17H16Cl2N2O3S — CID 6733520

IUPAC3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-24-12-2-5-17-14(8-12)11(10-20-17)6-7-21-25(22,23)13-3-4-15(18)16(19)9-13/h2-5,8-10,20-21H,6-7H2,1H3
InChIKeyITGQSMROFIOXCO-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.00
Rot. Bonds6

About 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 6733520) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID6733520
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-24-12-2-5-17-14(8-12)11(10-20-17)6-7-21-25(22,23)13-3-4-15(18)16(19)9-13/h2-5,8-10,20-21H,6-7H2,1H3
InChIKeyITGQSMROFIOXCO-UHFFFAOYSA-N
XLogP4.00
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029431
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 53006760
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
3-chloro-4-(difluoromethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 78871454
4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 6733520) is 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ITGQSMROFIOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-24-12-2-5-17-14(8-12)11(10-20-17)6-7-21-25(22,23)13-3-4-15(18)16(19)9-13/h2-5,8-10,20-21H,6-7H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 399.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 6733520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).