2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide

C13H19ClN2O3S — CID 64631355

IUPAC2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide
SMILESCC(CS(C)(=O)=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H19ClN2O3S/c1-9(8-20(4,18)19)15-10-5-6-12(14)11(7-10)13(17)16(2)3/h5-7,9,15H,8H2,1-4H3
InChIKeyVHZNJBKLLSHNRT-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.89
Rot. Bonds5

About 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide

2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide (PubChem CID 64631355) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide
PubChem CID64631355
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide
SMILESCC(CS(C)(=O)=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H19ClN2O3S/c1-9(8-20(4,18)19)15-10-5-6-12(14)11(7-10)13(17)16(2)3/h5-7,9,15H,8H2,1-4H3
InChIKeyVHZNJBKLLSHNRT-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N,1-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)benzene-1,4-diamine
CID 64631374
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
CID 43709856
3-chloro-N-(1-methylsulfonylpropan-2-yl)-4-nitroaniline
CID 82864442
N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630713
N-(1-methylsulfonylpropan-2-yl)-4-propan-2-ylaniline
CID 64631526
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
CID 119286908
1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
3-chloro-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64642114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide (CID 64631355) is 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide is CC(CS(C)(=O)=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide?
The InChIKey is VHZNJBKLLSHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(8-20(4,18)19)15-10-5-6-12(14)11(7-10)13(17)16(2)3/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide?
2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide has a molecular weight of 318.83 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide is sourced from PubChem (CID 64631355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).