3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

C13H19ClN2O3S — CID 113143656

IUPAC3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-10(2)15-13(17)8-9-16(20(3,18)19)12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyRSWWTKZAAPBERV-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.02
Rot. Bonds6

About 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (PubChem CID 113143656) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
PubChem CID113143656
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-10(2)15-13(17)8-9-16(20(3,18)19)12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyRSWWTKZAAPBERV-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
methyl 4-chloro-3-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145668
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30219626
3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
CID 113145813
3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113145127
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
methyl 4-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145627

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (CID 113143656) is 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The InChIKey is RSWWTKZAAPBERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-10(2)15-13(17)8-9-16(20(3,18)19)12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide has a molecular weight of 318.83 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113143656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).