(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine

C12H18ClNO2S — CID 7004618

IUPAC(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
SMILESCC[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-3-10(2)14-8-9-17(15,16)12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyVANXNIWFYXJLEP-SNVBAGLBSA-N
MW275.80 g/mol
LogP2.50
Rot. Bonds6

About (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine

(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine (PubChem CID 7004618) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
PubChem CID7004618
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
SMILESCC[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-3-10(2)14-8-9-17(15,16)12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyVANXNIWFYXJLEP-SNVBAGLBSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
N-[2-(4-chlorophenyl)sulfanylethyl]butan-2-amine
CID 60684285
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
4-[2-(5-methylhexan-2-ylamino)ethylsulfonyl]benzonitrile
CID 79591977
N-[2-(4-chlorophenyl)sulfonylethyl]-3-ethoxypropan-1-amine
CID 103603111

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine?
The IUPAC name of (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine (CID 7004618) is (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine?
The canonical SMILES for (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine is CC[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine?
The InChIKey is VANXNIWFYXJLEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-3-10(2)14-8-9-17(15,16)12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine?
(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine has a molecular weight of 275.80 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine is sourced from PubChem (CID 7004618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).