1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine

C21H24N2O2S — CID 66925222

IUPAC1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C21H24N2O2S/c1-16(2)20-18(14-22-3)15-23(21(20)17-10-6-4-7-11-17)26(24,25)19-12-8-5-9-13-19/h4-13,15-16,22H,14H2,1-3H3
InChIKeySYNNMRROPRVCFC-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.23
Rot. Bonds6

About 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine

1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66925222) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66925222
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C21H24N2O2S/c1-16(2)20-18(14-22-3)15-23(21(20)17-10-6-4-7-11-17)26(24,25)19-12-8-5-9-13-19/h4-13,15-16,22H,14H2,1-3H3
InChIKeySYNNMRROPRVCFC-UHFFFAOYSA-N
XLogP4.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfonyl)-5-phenyl-4-propylpyrrol-3-yl]-N-methylmethanamine
CID 66924746
N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
CID 66924782
N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
CID 66924968
1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 66924914
N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
CID 174226240
1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
methane;N-methyl-1-[1-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanamine;oxalic acid
CID 159683971
N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
CID 66925129
N-methyl-1-[5-(6-phenyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 154725866
N-methyl-1-[1-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine (CID 66925222) is 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is SYNNMRROPRVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-16(2)20-18(14-22-3)15-23(21(20)17-10-6-4-7-11-17)26(24,25)19-12-8-5-9-13-19/h4-13,15-16,22H,14H2,1-3H3.
What are the key properties of 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine?
1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 368.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66925222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).