3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide

C12H17ClN2O3S — CID 125443896

IUPAC3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@]1(O)CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c13-10-3-1-4-11(7-10)19(17,18)15-9-12(16)5-2-6-14-8-12/h1,3-4,7,14-16H,2,5-6,8-9H2/t12-/m0/s1
InChIKeyHFNFLZJQZDYQEJ-LBPRGKRZSA-N
MW304.80 g/mol
LogP0.73
Rot. Bonds4

About 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide

3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 125443896) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
PubChem CID125443896
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@]1(O)CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c13-10-3-1-4-11(7-10)19(17,18)15-9-12(16)5-2-6-14-8-12/h1,3-4,7,14-16H,2,5-6,8-9H2/t12-/m0/s1
InChIKeyHFNFLZJQZDYQEJ-LBPRGKRZSA-N
XLogP0.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122572400
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
3-(azepane-1-carbonyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97201837
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
CID 114189630
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide (CID 125443896) is 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@]1(O)CCCNC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is HFNFLZJQZDYQEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-10-3-1-4-11(7-10)19(17,18)15-9-12(16)5-2-6-14-8-12/h1,3-4,7,14-16H,2,5-6,8-9H2/t12-/m0/s1.
What are the key properties of 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide?
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 125443896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).