2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide

C14H21N3O4S — CID 1239368

IUPAC2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESC[C@@H](O)CN1CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1
InChIInChI=1S/C14H21N3O4S/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)22(15,20)21/h2-5,11,18H,6-10H2,1H3,(H2,15,20,21)/t11-/m1/s1
InChIKeyWXQWOLYKSAEYHP-LLVKDONJSA-N
MW327.41 g/mol
LogP-0.53
Rot. Bonds4

About 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide

2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 1239368) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID1239368
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESC[C@@H](O)CN1CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1
InChIInChI=1S/C14H21N3O4S/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)22(15,20)21/h2-5,11,18H,6-10H2,1H3,(H2,15,20,21)/t11-/m1/s1
InChIKeyWXQWOLYKSAEYHP-LLVKDONJSA-N
XLogP-0.53
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 112765512
4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 95750555
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56802486
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51251435
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 114412238
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95332327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide (CID 1239368) is 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide is C[C@@H](O)CN1CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is WXQWOLYKSAEYHP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11(18)10-16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)22(15,20)21/h2-5,11,18H,6-10H2,1H3,(H2,15,20,21)/t11-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide?
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 1239368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).