N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide

C13H19ClN2O2S — CID 97325646

IUPACN-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@](C)(CN)C2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-6-12(11(14)7-9)19(17,18)16-13(2,8-15)10-4-5-10/h3,6-7,10,16H,4-5,8,15H2,1-2H3/t13-/m1/s1
InChIKeyYLJJAIMFCBHVFS-CYBMUJFWSA-N
MW302.83 g/mol
LogP2.05
Rot. Bonds5

About N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide

N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide (PubChem CID 97325646) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
PubChem CID97325646
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@](C)(CN)C2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-6-12(11(14)7-9)19(17,18)16-13(2,8-15)10-4-5-10/h3,6-7,10,16H,4-5,8,15H2,1-2H3/t13-/m1/s1
InChIKeyYLJJAIMFCBHVFS-CYBMUJFWSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
CID 115307839
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100511
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-sulfonamide;hydrochloride
CID 119981675
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide (CID 97325646) is N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@](C)(CN)C2CC2)c(Cl)c1.
What is the InChIKey of N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is YLJJAIMFCBHVFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-3-6-12(11(14)7-9)19(17,18)16-13(2,8-15)10-4-5-10/h3,6-7,10,16H,4-5,8,15H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide?
N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 97325646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).