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

C17H18ClNO2S — CID 43906029

IUPAC1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NC1CCCc2ccccc21
InChIInChI=1S/C17H18ClNO2S/c18-15-8-3-5-13(11-15)12-22(20,21)19-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17,19H,4,7,10,12H2
InChIKeyKMSUKTHMANAQFZ-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.84
Rot. Bonds4

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

1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (PubChem CID 43906029) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
PubChem CID43906029
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NC1CCCc2ccccc21
InChIInChI=1S/C17H18ClNO2S/c18-15-8-3-5-13(11-15)12-22(20,21)19-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17,19H,4,7,10,12H2
InChIKeyKMSUKTHMANAQFZ-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.84
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
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
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-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 120721901
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63460880
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (CID 43906029) is 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NC1CCCc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The InChIKey is KMSUKTHMANAQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-15-8-3-5-13(11-15)12-22(20,21)19-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17,19H,4,7,10,12H2.
What are the key properties of 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 43906029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).