4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide

C12H16N2O4S — CID 103871349

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C12H16N2O4S/c1-12(16)6-7-14(8-12)19(17,18)10-4-2-9(3-5-10)11(13)15/h2-5,16H,6-8H2,1H3,(H2,13,15)
InChIKeyJOJCXZCLXZVPOS-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.07
Rot. Bonds3

About 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide

4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide (PubChem CID 103871349) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
PubChem CID103871349
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C12H16N2O4S/c1-12(16)6-7-14(8-12)19(17,18)10-4-2-9(3-5-10)11(13)15/h2-5,16H,6-8H2,1H3,(H2,13,15)
InChIKeyJOJCXZCLXZVPOS-UHFFFAOYSA-N
XLogP-0.07
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-2-methylbenzenecarbothioamide
CID 106920423
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-(3,3-difluoropyrrolidin-1-yl)sulfonylbenzoic acid
CID 138453425
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
4-piperazin-1-ylsulfonylbenzamide
CID 7131265
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
1-(2-hydrazinylpyrimidin-5-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103356611
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871388
3-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-4-methoxybenzoic acid
CID 103355689

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide (CID 103871349) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide is CC1(O)CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide?
The InChIKey is JOJCXZCLXZVPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(16)6-7-14(8-12)19(17,18)10-4-2-9(3-5-10)11(13)15/h2-5,16H,6-8H2,1H3,(H2,13,15).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide has a molecular weight of 284.34 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 103871349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).