1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol

C14H17NO3S — CID 10378883

IUPAC1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C14H17NO3S/c1-3-14(16)12-8-9-15(10-12)19(17,18)13-6-4-11(2)5-7-13/h4-10,14,16H,3H2,1-2H3
InChIKeyWHWHCUKXXBFRSY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.48
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol

1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol (PubChem CID 10378883) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
PubChem CID10378883
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C14H17NO3S/c1-3-14(16)12-8-9-15(10-12)19(17,18)13-6-4-11(2)5-7-13/h4-10,14,16H,3H2,1-2H3
InChIKeyWHWHCUKXXBFRSY-UHFFFAOYSA-N
XLogP2.48
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol
CID 59278348
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one
CID 14510074
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
2-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119199273
3-buta-1,3-dien-2-yl-1-(4-methylphenyl)sulfonylpyrrole
CID 139226054
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120652815
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine
CID 14168435
1-(1,3-benzodioxol-5-yl)-4-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-ol
CID 134848959

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol (CID 10378883) is 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol?
The InChIKey is WHWHCUKXXBFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-14(16)12-8-9-15(10-12)19(17,18)13-6-4-11(2)5-7-13/h4-10,14,16H,3H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol?
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol has a molecular weight of 279.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 10378883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).