3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride

C14H24ClN3O4S2 — CID 120664523

IUPAC3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-3-15-11(2)10-16-22(18,19)13-5-4-6-14(9-13)23(20,21)17-12-7-8-12;/h4-6,9,11-12,15-17H,3,7-8,10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyKCISKZMHEDYCHJ-RFVHGSKJSA-N
MW397.95 g/mol
LogP0.83
Rot. Bonds9

About 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride

3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride (PubChem CID 120664523) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
PubChem CID120664523
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC Name3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-3-15-11(2)10-16-22(18,19)13-5-4-6-14(9-13)23(20,21)17-12-7-8-12;/h4-6,9,11-12,15-17H,3,7-8,10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyKCISKZMHEDYCHJ-RFVHGSKJSA-N
XLogP0.83
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;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

N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120664735
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
1-N-[2-(4-aminophenyl)ethyl]-3-N-cyclopropylbenzene-1,3-disulfonamide;hydrochloride
CID 120715618
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
3-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 120664929
3-bromo-4-ethoxy-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664517

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride?
The IUPAC name of 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride (CID 120664523) is 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride.
What is the SMILES notation for 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride?
The canonical SMILES for 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1.Cl.
What is the InChIKey of 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride?
The InChIKey is KCISKZMHEDYCHJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c1-3-15-11(2)10-16-22(18,19)13-5-4-6-14(9-13)23(20,21)17-12-7-8-12;/h4-6,9,11-12,15-17H,3,7-8,10H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride?
3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride is sourced from PubChem (CID 120664523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).