4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide

C18H16BrNO2S — CID 99798402

IUPAC4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H16BrNO2S/c1-13(14-7-3-2-4-8-14)20-23(21,22)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-13,20H,1H3/t13-/m1/s1
InChIKeySLHDQKBHRWBDJM-CYBMUJFWSA-N
MW390.30 g/mol
LogP4.64
Rot. Bonds4

About 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide

4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide (PubChem CID 99798402) has the molecular formula C18H16BrNO2S and a molecular weight of 390.30 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
PubChem CID99798402
Molecular FormulaC18H16BrNO2S
Molecular Weight390.30 g/mol
Exact Mass389.01
IUPAC Name4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H16BrNO2S/c1-13(14-7-3-2-4-8-14)20-23(21,22)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-13,20H,1H3/t13-/m1/s1
InChIKeySLHDQKBHRWBDJM-CYBMUJFWSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 106035478
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide (CID 99798402) is 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide?
The InChIKey is SLHDQKBHRWBDJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16BrNO2S/c1-13(14-7-3-2-4-8-14)20-23(21,22)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-13,20H,1H3/t13-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide?
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide has a molecular weight of 390.30 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 99798402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).