3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine

C14H22ClNO2S — CID 64674433

IUPAC3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2S/c1-4-7-13(16-3)14(5-2)19(17,18)12-9-6-8-11(15)10-12/h6,8-10,13-14,16H,4-5,7H2,1-3H3
InChIKeyFIEWNDRHJVEVNP-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.28
Rot. Bonds7

About 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine

3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine (PubChem CID 64674433) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine
PubChem CID64674433
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2S/c1-4-7-13(16-3)14(5-2)19(17,18)12-9-6-8-11(15)10-12/h6,8-10,13-14,16H,4-5,7H2,1-3H3
InChIKeyFIEWNDRHJVEVNP-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine
CID 64641228
3-(3-methylphenyl)sulfonyl-N-propylheptan-4-amine
CID 64675274
1-chloro-3-heptan-3-ylsulfonylbenzene
CID 154972471
1-chloro-3-decan-3-ylsulfonylbenzene
CID 154972546
3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
CID 64634700
N-methyl-3-[(3-methylphenyl)methylsulfonyl]heptan-4-amine
CID 64674454
1-chloro-3-(1-chloroethylsulfonyl)benzene
CID 173357719
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
3-(3-methoxyphenyl)sulfonylheptan-4-amine
CID 64646750

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine (CID 64674433) is 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine is CCCC(NC)C(CC)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine?
The InChIKey is FIEWNDRHJVEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-4-7-13(16-3)14(5-2)19(17,18)12-9-6-8-11(15)10-12/h6,8-10,13-14,16H,4-5,7H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine?
3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine has a molecular weight of 303.85 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine is sourced from PubChem (CID 64674433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).