1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide

C17H18BrNO2S — CID 43885248

IUPAC1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C17H18BrNO2S/c18-15-10-8-13(9-11-15)12-22(20,21)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17,19H,3,5,7,12H2
InChIKeyODJVHERLUHWQBA-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide

1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (PubChem CID 43885248) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
PubChem CID43885248
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C17H18BrNO2S/c18-15-10-8-13(9-11-15)12-22(20,21)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17,19H,3,5,7,12H2
InChIKeyODJVHERLUHWQBA-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94013011
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 90624657

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (CID 43885248) is 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is O=S(=O)(Cc1ccc(Br)cc1)NC1CCCc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The InChIKey is ODJVHERLUHWQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c18-15-10-8-13(9-11-15)12-22(20,21)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17,19H,3,5,7,12H2.
What are the key properties of 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide has a molecular weight of 380.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 43885248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).