1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride

C18H19ClN2O2S — CID 118728090

IUPAC1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H18N2O2S.ClH/c1-19-13-15-12-18(20(14-15)16-8-4-2-5-9-16)23(21,22)17-10-6-3-7-11-17;/h2-12,14,19H,13H2,1H3;1H
InChIKeyKNVOWRDVEMPKHB-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.45
Rot. Bonds5

About 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride

1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 118728090) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID118728090
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H18N2O2S.ClH/c1-19-13-15-12-18(20(14-15)16-8-4-2-5-9-16)23(21,22)17-10-6-3-7-11-17;/h2-12,14,19H,13H2,1H3;1H
InChIKeyKNVOWRDVEMPKHB-UHFFFAOYSA-N
XLogP3.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 66924914
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
2-methyl-5-(methylaminomethyl)-1-phenylpyridin-4-one
CID 82419740
1-[5-(benzenesulfonyl)-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 68747712
3-(methylaminomethyl)benzenesulfonic acid
CID 19897302
N-methyl-1-[1-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
CID 66925129
1-[5-(benzenesulfonyl)-1-(2,6-difluorophenyl)pyrazol-3-yl]-N-methylmethanamine;but-2-enedioic acid
CID 68748460

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride (CID 118728090) is 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1.Cl.
What is the InChIKey of 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is KNVOWRDVEMPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S.ClH/c1-19-13-15-12-18(20(14-15)16-8-4-2-5-9-16)23(21,22)17-10-6-3-7-11-17;/h2-12,14,19H,13H2,1H3;1H.
What are the key properties of 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 118728090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).