N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride

C12H21ClFN3O4S2 — CID 120664861

IUPACN-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C12H20FN3O4S2.ClH/c1-4-14-9(2)8-15-22(19,20)10-5-6-12(11(13)7-10)16-21(3,17)18;/h5-7,9,14-16H,4,8H2,1-3H3;1H/t9-;/m1./s1
InChIKeyNHYYGNLYWDCROQ-SBSPUUFOSA-N
MW389.90 g/mol
LogP0.90
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride (PubChem CID 120664861) has the molecular formula C12H21ClFN3O4S2 and a molecular weight of 389.90 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
PubChem CID120664861
Molecular FormulaC12H21ClFN3O4S2
Molecular Weight389.90 g/mol
Exact Mass389.06
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C12H20FN3O4S2.ClH/c1-4-14-9(2)8-15-22(19,20)10-5-6-12(11(13)7-10)16-21(3,17)18;/h5-7,9,14-16H,4,8H2,1-3H3;1H/t9-;/m1./s1
InChIKeyNHYYGNLYWDCROQ-SBSPUUFOSA-N
XLogP0.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)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

N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride
CID 120664769
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825305
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
3-fluoro-N-[2-(methylamino)propyl]-4-(propan-2-ylsulfonylamino)benzenesulfonamide;hydrochloride
CID 120825450
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-(2-amino-2-ethylbutyl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119989920
3-cyano-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 120664948
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
3-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 120664929
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride (CID 120664861) is N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride?
The InChIKey is NHYYGNLYWDCROQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H20FN3O4S2.ClH/c1-4-14-9(2)8-15-22(19,20)10-5-6-12(11(13)7-10)16-21(3,17)18;/h5-7,9,14-16H,4,8H2,1-3H3;1H/t9-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride has a molecular weight of 389.90 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).