5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide

C12H16BrNO3S — CID 8817191

IUPAC5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C12H16BrNO3S/c1-8(9-3-4-9)14-18(15,16)12-7-10(13)5-6-11(12)17-2/h5-9,14H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyGHAKPNCCFCMFJS-QMMMGPOBSA-N
MW334.24 g/mol
LogP2.53
Rot. Bonds5

About 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide

5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide (PubChem CID 8817191) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
PubChem CID8817191
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C12H16BrNO3S/c1-8(9-3-4-9)14-18(15,16)12-7-10(13)5-6-11(12)17-2/h5-9,14H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyGHAKPNCCFCMFJS-QMMMGPOBSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 81413597
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide (CID 8817191) is 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C1CC1.
What is the InChIKey of 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GHAKPNCCFCMFJS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-8(9-3-4-9)14-18(15,16)12-7-10(13)5-6-11(12)17-2/h5-9,14H,3-4H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 8817191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).