N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide

C12H16ClN3O2S — CID 63866308

IUPACN-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ccc(Cl)cc1C#N)NS(C)(=O)=O
InChIInChI=1S/C12H16ClN3O2S/c1-12(2,16-19(3,17)18)8-15-11-5-4-10(13)6-9(11)7-14/h4-6,15-16H,8H2,1-3H3
InChIKeyTZLVXIFYVIWATB-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.95
Rot. Bonds5

About N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63866308) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63866308
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC NameN-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ccc(Cl)cc1C#N)NS(C)(=O)=O
InChIInChI=1S/C12H16ClN3O2S/c1-12(2,16-19(3,17)18)8-15-11-5-4-10(13)6-9(11)7-14/h4-6,15-16H,8H2,1-3H3
InChIKeyTZLVXIFYVIWATB-UHFFFAOYSA-N
XLogP1.95
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide (CID 63866308) is N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1ccc(Cl)cc1C#N)NS(C)(=O)=O.
What is the InChIKey of N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is TZLVXIFYVIWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-12(2,16-19(3,17)18)8-15-11-5-4-10(13)6-9(11)7-14/h4-6,15-16H,8H2,1-3H3.
What are the key properties of N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 301.80 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63866308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).