5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide

C18H17ClN2O4S — CID 28935901

IUPAC5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c(Cl)cc21
InChIInChI=1S/C18H17ClN2O4S/c1-21-15-9-13(19)17(10-16(15)25-18(21)22)26(23,24)20-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9-10,14,20H,4,6,8H2,1H3/t14-/m1/s1
InChIKeyOMHKDGOZXLXVCJ-CQSZACIVSA-N
MW392.86 g/mol
LogP3.14
Rot. Bonds3

About 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide

5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 28935901) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
PubChem CID28935901
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c(Cl)cc21
InChIInChI=1S/C18H17ClN2O4S/c1-21-15-9-13(19)17(10-16(15)25-18(21)22)26(23,24)20-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9-10,14,20H,4,6,8H2,1H3/t14-/m1/s1
InChIKeyOMHKDGOZXLXVCJ-CQSZACIVSA-N
XLogP3.14
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
CID 22582458
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
N-(2,3-dihydro-1H-inden-1-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17487417
6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-benzoxazine-7-sulfonamide
CID 95085376
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 40597380
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
CID 120721939
6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
CID 28561014
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120722144
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 41226143

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide (CID 28935901) is 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is OMHKDGOZXLXVCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-21-15-9-13(19)17(10-16(15)25-18(21)22)26(23,24)20-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9-10,14,20H,4,6,8H2,1H3/t14-/m1/s1.
What are the key properties of 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide?
5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 392.86 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 28935901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).