N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide

C15H23ClN2O3S — CID 113143908

IUPACN-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-4-5-11-17(2)15(19)10-12-18(22(3,20)21)14-8-6-13(16)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyLUYXDBGCFDZEJO-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.75
Rot. Bonds8

About N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide

N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 113143908) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID113143908
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-4-5-11-17(2)15(19)10-12-18(22(3,20)21)14-8-6-13(16)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyLUYXDBGCFDZEJO-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143083
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
methyl 4-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156042
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
(4-chlorophenyl)-octadecylsulfamic acid
CID 173322232
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide (CID 113143908) is N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide is CCCCN(C)C(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is LUYXDBGCFDZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-4-5-11-17(2)15(19)10-12-18(22(3,20)21)14-8-6-13(16)7-9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 346.88 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 113143908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).