3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 120723398

IUPAC3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC[C@H]2CCCN2)ccc1OC(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-12(2)21-16-7-6-15(11-13(16)3)22(19,20)18-10-8-14-5-4-9-17-14;/h6-7,11-12,14,17-18H,4-5,8-10H2,1-3H3;1H/t14-;/m1./s1
InChIKeyMFRNRICLJUSQIN-PFEQFJNWSA-N
MW362.92 g/mol
LogP2.62
Rot. Bonds7

About 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120723398) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID120723398
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC[C@H]2CCCN2)ccc1OC(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-12(2)21-16-7-6-15(11-13(16)3)22(19,20)18-10-8-14-5-4-9-17-14;/h6-7,11-12,14,17-18H,4-5,8-10H2,1-3H3;1H/t14-;/m1./s1
InChIKeyMFRNRICLJUSQIN-PFEQFJNWSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972556
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723520
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (CID 120723398) is 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC[C@H]2CCCN2)ccc1OC(C)C.Cl.
What is the InChIKey of 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is MFRNRICLJUSQIN-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-12(2)21-16-7-6-15(11-13(16)3)22(19,20)18-10-8-14-5-4-9-17-14;/h6-7,11-12,14,17-18H,4-5,8-10H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).