3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride

C12H18ClN3O2S — CID 120664547

IUPAC3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(C#N)c1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-3-14-10(2)9-15-18(16,17)12-6-4-5-11(7-12)8-13;/h4-7,10,14-15H,3,9H2,1-2H3;1H/t10-;/m1./s1
InChIKeyMMATZWDDQGZXEB-HNCPQSOCSA-N
MW303.82 g/mol
LogP1.26
Rot. Bonds6

About 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride

3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120664547) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120664547
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(C#N)c1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-3-14-10(2)9-15-18(16,17)12-6-4-5-11(7-12)8-13;/h4-7,10,14-15H,3,9H2,1-2H3;1H/t10-;/m1./s1
InChIKeyMMATZWDDQGZXEB-HNCPQSOCSA-N
XLogP1.26
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
CID 120664523
N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
CID 43606402
3-cyano-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 120664948
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120664735
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride (CID 120664547) is 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cccc(C#N)c1.Cl.
What is the InChIKey of 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is MMATZWDDQGZXEB-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17N3O2S.ClH/c1-3-14-10(2)9-15-18(16,17)12-6-4-5-11(7-12)8-13;/h4-7,10,14-15H,3,9H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride?
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 303.82 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).