N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide

C15H22Cl2N2O3S — CID 113146626

IUPACN-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-4-5-10-18(2)14(20)9-11-19(23(3,21)22)13-8-6-7-12(16)15(13)17/h6-8H,4-5,9-11H2,1-3H3
InChIKeyFRBNIWBUTPQLIV-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.41
Rot. Bonds8

About N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide

N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 113146626) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID113146626
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC NameN-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-4-5-10-18(2)14(20)9-11-19(23(3,21)22)13-8-6-7-12(16)15(13)17/h6-8H,4-5,9-11H2,1-3H3
InChIKeyFRBNIWBUTPQLIV-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143083
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide (CID 113146626) is N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide is CCCCN(C)C(=O)CCN(c1cccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is FRBNIWBUTPQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-4-5-10-18(2)14(20)9-11-19(23(3,21)22)13-8-6-7-12(16)15(13)17/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide?
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 381.33 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 113146626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).