N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride

C9H15ClN2O2S — CID 86775481

IUPACN,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
SMILESCNc1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-10-8-4-6-9(7-5-8)14(12,13)11(2)3;/h4-7,10H,1-3H3;1H
InChIKeyQIPCLQRPSVUDOM-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.40
Rot. Bonds3

About N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride

N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride (PubChem CID 86775481) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
PubChem CID86775481
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC NameN,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
SMILESCNc1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-10-8-4-6-9(7-5-8)14(12,13)11(2)3;/h4-7,10H,1-3H3;1H
InChIKeyQIPCLQRPSVUDOM-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55024925
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
CID 90391328
CID 90391328
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride (CID 86775481) is N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride is CNc1ccc(S(=O)(=O)N(C)C)cc1.Cl.
What is the InChIKey of N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride?
The InChIKey is QIPCLQRPSVUDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-10-8-4-6-9(7-5-8)14(12,13)11(2)3;/h4-7,10H,1-3H3;1H.
What are the key properties of N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride?
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 86775481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).