1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide

C18H21NO2S — CID 92679624

IUPAC1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-14-9-11-15(12-10-14)13-22(20,21)19-18-8-4-6-16-5-2-3-7-17(16)18/h2-3,5,7,9-12,18-19H,4,6,8,13H2,1H3/t18-/m1/s1
InChIKeyQDQQRPFQILVKSG-GOSISDBHSA-N
MW315.44 g/mol
LogP3.49
Rot. Bonds4

About 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide

1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide (PubChem CID 92679624) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
PubChem CID92679624
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-14-9-11-15(12-10-14)13-22(20,21)19-18-8-4-6-16-5-2-3-7-17(16)18/h2-3,5,7,9-12,18-19H,4,6,8,13H2,1H3/t18-/m1/s1
InChIKeyQDQQRPFQILVKSG-GOSISDBHSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248
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-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
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
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 120721901
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide (CID 92679624) is 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide is Cc1ccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The InChIKey is QDQQRPFQILVKSG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-9-11-15(12-10-14)13-22(20,21)19-18-8-4-6-16-5-2-3-7-17(16)18/h2-3,5,7,9-12,18-19H,4,6,8,13H2,1H3/t18-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide is sourced from PubChem (CID 92679624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).