5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride

C21H23Cl2N3O2S2 — CID 44533239

IUPAC5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
SMILESCc1c(S(=O)(=O)Nc2ccc3ccn(CCN(C)C)c3c2)sc2ccc(Cl)cc12.Cl
InChIInChI=1S/C21H22ClN3O2S2.ClH/c1-14-18-12-16(22)5-7-20(18)28-21(14)29(26,27)23-17-6-4-15-8-9-25(19(15)13-17)11-10-24(2)3;/h4-9,12-13,23H,10-11H2,1-3H3;1H
InChIKeyDLHJJPUYXNYLSG-UHFFFAOYSA-N
MW484.47 g/mol
LogP5.60
Rot. Bonds6

About 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride

5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride (PubChem CID 44533239) has the molecular formula C21H23Cl2N3O2S2 and a molecular weight of 484.47 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
PubChem CID44533239
Molecular FormulaC21H23Cl2N3O2S2
Molecular Weight484.47 g/mol
Exact Mass483.06
IUPAC Name5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
SMILESCc1c(S(=O)(=O)Nc2ccc3ccn(CCN(C)C)c3c2)sc2ccc(Cl)cc12.Cl
InChIInChI=1S/C21H22ClN3O2S2.ClH/c1-14-18-12-16(22)5-7-20(18)28-21(14)29(26,27)23-17-6-4-15-8-9-25(19(15)13-17)11-10-24(2)3;/h4-9,12-13,23H,10-11H2,1-3H3;1H
InChIKeyDLHJJPUYXNYLSG-UHFFFAOYSA-N
XLogP5.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
CID 2824261
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 11698821
methyl 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzoate
CID 56941887
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 11720304
5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 10300034
5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 6918455
5-chloro-3-methyl-N-[3-(4-methylpiperazin-1-yl)-4-propan-2-yloxyphenyl]-1-benzothiophene-2-sulfonamide
CID 18180056
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
CID 11676162
5-chloro-3-methyl-N-[3-(4-methylpiperazin-1-yl)-4-phenylmethoxyphenyl]-1-benzothiophene-2-sulfonamide
CID 18180067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride (CID 44533239) is 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride is Cc1c(S(=O)(=O)Nc2ccc3ccn(CCN(C)C)c3c2)sc2ccc(Cl)cc12.Cl.
What is the InChIKey of 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride?
The InChIKey is DLHJJPUYXNYLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S2.ClH/c1-14-18-12-16(22)5-7-20(18)28-21(14)29(26,27)23-17-6-4-15-8-9-25(19(15)13-17)11-10-24(2)3;/h4-9,12-13,23H,10-11H2,1-3H3;1H.
What are the key properties of 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride?
5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride has a molecular weight of 484.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 44533239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).