N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride

C11H15Cl2N3O2S — CID 75431033

IUPACN-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1.Cl
InChIInChI=1S/C11H14ClN3O2S.ClH/c1-11(2,14)7-15-18(16,17)9-4-3-8(6-13)10(12)5-9;/h3-5,15H,7,14H2,1-2H3;1H
InChIKeyFWDMFVFFMQRAHP-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.65
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride (PubChem CID 75431033) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
PubChem CID75431033
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC NameN-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1.Cl
InChIInChI=1S/C11H14ClN3O2S.ClH/c1-11(2,14)7-15-18(16,17)9-4-3-8(6-13)10(12)5-9;/h3-5,15H,7,14H2,1-2H3;1H
InChIKeyFWDMFVFFMQRAHP-UHFFFAOYSA-N
XLogP1.65
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
N-(2-amino-2-methylpropyl)-4-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 119988446
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 146125461
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697592

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride (CID 75431033) is N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride is CC(C)(N)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride?
The InChIKey is FWDMFVFFMQRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S.ClH/c1-11(2,14)7-15-18(16,17)9-4-3-8(6-13)10(12)5-9;/h3-5,15H,7,14H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride has a molecular weight of 324.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 75431033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).