N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide

C14H23ClN2O2S — CID 82884539

IUPACN-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cc(Cl)cc(CNC)c1C
InChIInChI=1S/C14H23ClN2O2S/c1-6-10(2)17(5)20(18,19)14-8-13(15)7-12(9-16-4)11(14)3/h7-8,10,16H,6,9H2,1-5H3
InChIKeyKSOHCZXPUJPCJJ-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.79
Rot. Bonds6

About N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide

N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 82884539) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID82884539
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cc(Cl)cc(CNC)c1C
InChIInChI=1S/C14H23ClN2O2S/c1-6-10(2)17(5)20(18,19)14-8-13(15)7-12(9-16-4)11(14)3/h7-8,10,16H,6,9H2,1-5H3
InChIKeyKSOHCZXPUJPCJJ-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
CID 82878757
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879348
5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 82885260
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988257
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82879498
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 82891311
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
2-bromo-N-butan-2-yl-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364120
N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988698

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide (CID 82884539) is N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1cc(Cl)cc(CNC)c1C.
What is the InChIKey of N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KSOHCZXPUJPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-6-10(2)17(5)20(18,19)14-8-13(15)7-12(9-16-4)11(14)3/h7-8,10,16H,6,9H2,1-5H3.
What are the key properties of N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 82884539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).