N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine

C15H23ClN2O2S — CID 65074551

IUPACN-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-18-9-4-5-12(8-10-18)17-15-11-13(21(2,19)20)6-7-14(15)16/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyRFUFQJKBIPCZIP-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.03
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine

N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine (PubChem CID 65074551) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
PubChem CID65074551
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-18-9-4-5-12(8-10-18)17-15-11-13(21(2,19)20)6-7-14(15)16/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyRFUFQJKBIPCZIP-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
1-N-(1-ethylpiperidin-3-yl)-4-methylsulfonylbenzene-1,2-diamine
CID 61476242
2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63426890
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine (CID 65074551) is N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2cc(S(C)(=O)=O)ccc2Cl)CC1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine?
The InChIKey is RFUFQJKBIPCZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-18-9-4-5-12(8-10-18)17-15-11-13(21(2,19)20)6-7-14(15)16/h6-7,11-12,17H,3-5,8-10H2,1-2H3.
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine?
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine has a molecular weight of 330.88 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65074551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).