N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride

C16H18ClN3O3S — CID 139810334

IUPACN-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride
SMILESCc1c(-c2ccc(O)c(N)c2)[nH]c2ccc(NS(C)(=O)=O)cc12.Cl
InChIInChI=1S/C16H17N3O3S.ClH/c1-9-12-8-11(19-23(2,21)22)4-5-14(12)18-16(9)10-3-6-15(20)13(17)7-10;/h3-8,18-20H,17H2,1-2H3;1H
InChIKeyVEPBBLYREPJQTK-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.22
Rot. Bonds3

About N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride

N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride (PubChem CID 139810334) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride
PubChem CID139810334
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride
SMILESCc1c(-c2ccc(O)c(N)c2)[nH]c2ccc(NS(C)(=O)=O)cc12.Cl
InChIInChI=1S/C16H17N3O3S.ClH/c1-9-12-8-11(19-23(2,21)22)4-5-14(12)18-16(9)10-3-6-15(20)13(17)7-10;/h3-8,18-20H,17H2,1-2H3;1H
InChIKeyVEPBBLYREPJQTK-UHFFFAOYSA-N
XLogP3.22
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide
CID 139810320
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride
CID 139810355
2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide
CID 139794656
N-[3-(3-amino-4-methylphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567262
N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide
CID 90925791
N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide
CID 70285052
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
CID 71186806
2-(4-methoxyphenyl)-3-methyl-1H-indol-5-ol
CID 142624936
N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
CID 11232768
[(E)-[5-methyl-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]urea
CID 155817006

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride (CID 139810334) is N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride is Cc1c(-c2ccc(O)c(N)c2)[nH]c2ccc(NS(C)(=O)=O)cc12.Cl.
What is the InChIKey of N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride?
The InChIKey is VEPBBLYREPJQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S.ClH/c1-9-12-8-11(19-23(2,21)22)4-5-14(12)18-16(9)10-3-6-15(20)13(17)7-10;/h3-8,18-20H,17H2,1-2H3;1H.
What are the key properties of N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride?
N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride has a molecular weight of 367.86 g/mol, XLogP of 3.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 139810334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).