N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H17ClN2O4S — CID 146288908

IUPACN-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1noc3cccc(Cl)c13)CCCC2
InChIInChI=1S/C18H17ClN2O4S/c1-24-15-9-11-5-2-3-6-12(11)10-16(15)26(22,23)21-18-17-13(19)7-4-8-14(17)25-20-18/h4,7-10H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyRKSPSVABXSPNOR-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.17
Rot. Bonds4

About N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 146288908) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID146288908
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)Nc1noc3cccc(Cl)c13)CCCC2
InChIInChI=1S/C18H17ClN2O4S/c1-24-15-9-11-5-2-3-6-12(11)10-16(15)26(22,23)21-18-17-13(19)7-4-8-14(17)25-20-18/h4,7-10H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyRKSPSVABXSPNOR-UHFFFAOYSA-N
XLogP4.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide
CID 146288934
4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 146288819
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100760048
N-[4-chloro-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155423061
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 155432575
N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide
CID 100752345
3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100504003
N-[6-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-ylmethyl)-4-methoxy-1,2-benzoxazol-3-yl]-5-ethyl-2-methoxybenzenesulfonamide
CID 170149960
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693
2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
CID 67407982

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 146288908) is N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1cc2c(cc1S(=O)(=O)Nc1noc3cccc(Cl)c13)CCCC2.
What is the InChIKey of N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is RKSPSVABXSPNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-24-15-9-11-5-2-3-6-12(11)10-16(15)26(22,23)21-18-17-13(19)7-4-8-14(17)25-20-18/h4,7-10H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 392.86 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 146288908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).