N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine

C20H25N3O3S — CID 25266284

IUPACN-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2ccc(C)c(NCCN(C)C)c2)c1
InChIInChI=1S/C20H25N3O3S/c1-15-5-7-18(14-19(15)21-10-12-22(2)3)27(24,25)23-11-9-16-13-17(26-4)6-8-20(16)23/h5-9,11,13-14,21H,10,12H2,1-4H3
InChIKeyBEMPNBYYTFNDCC-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.17
Rot. Bonds7

About N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine

N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 25266284) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID25266284
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2ccc(C)c(NCCN(C)C)c2)c1
InChIInChI=1S/C20H25N3O3S/c1-15-5-7-18(14-19(15)21-10-12-22(2)3)27(24,25)23-11-9-16-13-17(26-4)6-8-20(16)23/h5-9,11,13-14,21H,10,12H2,1-4H3
InChIKeyBEMPNBYYTFNDCC-UHFFFAOYSA-N
XLogP3.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methoxyindol-1-yl)sulfonylaniline
CID 71494345
1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxyindole
CID 45110601
N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
CID 141109209
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine
CID 25104155
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
CID 71493853
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine (CID 25266284) is N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine is COc1ccc2c(ccn2S(=O)(=O)c2ccc(C)c(NCCN(C)C)c2)c1.
What is the InChIKey of N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BEMPNBYYTFNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-5-7-18(14-19(15)21-10-12-22(2)3)27(24,25)23-11-9-16-13-17(26-4)6-8-20(16)23/h5-9,11,13-14,21H,10,12H2,1-4H3.
What are the key properties of N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine?
N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 387.51 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 25266284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).