N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride

C11H18Cl2N2O2S2 — CID 120709208

IUPACN-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCSc1ccc(S(=O)(=O)NC(C)(C)CN)cc1Cl.Cl
InChIInChI=1S/C11H17ClN2O2S2.ClH/c1-11(2,7-13)14-18(15,16)8-4-5-10(17-3)9(12)6-8;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyWASORVPCYUDDLX-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.50
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride (PubChem CID 120709208) has the molecular formula C11H18Cl2N2O2S2 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
PubChem CID120709208
Molecular FormulaC11H18Cl2N2O2S2
Molecular Weight345.32 g/mol
Exact Mass344.02
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCSc1ccc(S(=O)(=O)NC(C)(C)CN)cc1Cl.Cl
InChIInChI=1S/C11H17ClN2O2S2.ClH/c1-11(2,7-13)14-18(15,16)8-4-5-10(17-3)9(12)6-8;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyWASORVPCYUDDLX-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;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-[2-(aminomethyl)cyclohexyl]-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711169
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(3-aminobutyl)-3-chloro-4-methylsulfanylbenzenesulfonamide
CID 120708558
3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120708827
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975663
3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
CID 65033108
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride (CID 120709208) is N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride is CSc1ccc(S(=O)(=O)NC(C)(C)CN)cc1Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride?
The InChIKey is WASORVPCYUDDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2.ClH/c1-11(2,7-13)14-18(15,16)8-4-5-10(17-3)9(12)6-8;/h4-6,14H,7,13H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride has a molecular weight of 345.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120709208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).