4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide

C15H20ClNO3S — CID 78785868

IUPAC4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H20ClNO3S/c1-3-8-17(10-11-4-5-11)15(18)12-6-7-13(16)14(9-12)21(2,19)20/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyMZSZRRAULXSCJF-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.01
Rot. Bonds6

About 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide

4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide (PubChem CID 78785868) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
PubChem CID78785868
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H20ClNO3S/c1-3-8-17(10-11-4-5-11)15(18)12-6-7-13(16)14(9-12)21(2,19)20/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyMZSZRRAULXSCJF-UHFFFAOYSA-N
XLogP3.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 9407584
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
4-(3-aminoprop-1-ynyl)-3-chloro-N-(cyclopropylmethyl)-N-propylbenzamide
CID 81294754
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
CID 30948744
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
CID 55361063
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide (CID 78785868) is 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide?
The InChIKey is MZSZRRAULXSCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-3-8-17(10-11-4-5-11)15(18)12-6-7-13(16)14(9-12)21(2,19)20/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide?
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide has a molecular weight of 329.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 78785868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).