4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C16H24N2O2S — CID 106833094

IUPAC4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1C#N
InChIInChI=1S/C16H24N2O2S/c1-12(2)10-18(11-13(3)4)21(19,20)16-7-6-15(9-17)14(5)8-16/h6-8,12-13H,10-11H2,1-5H3
InChIKeyHSDUMFVTQYGZGS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.17
Rot. Bonds6

About 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 106833094) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID106833094
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1C#N
InChIInChI=1S/C16H24N2O2S/c1-12(2)10-18(11-13(3)4)21(19,20)16-7-6-15(9-17)14(5)8-16/h6-8,12-13H,10-11H2,1-5H3
InChIKeyHSDUMFVTQYGZGS-UHFFFAOYSA-N
XLogP3.17
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106833012
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
2-[butan-2-yl-(4-cyano-3-methylphenyl)sulfonylamino]acetic acid
CID 106831548
methyl 2-[(4-cyano-3-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 106833054
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
4-cyano-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 106919760
3-chloro-4-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 52708051
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 106833094) is 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is HSDUMFVTQYGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)10-18(11-13(3)4)21(19,20)16-7-6-15(9-17)14(5)8-16/h6-8,12-13H,10-11H2,1-5H3.
What are the key properties of 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106833094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).