N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C16H19ClN2O4S — CID 42590576

IUPACN-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)c(Cl)cc21
InChIInChI=1S/C16H19ClN2O4S/c1-19-13-6-12(17)15(7-14(13)23-16(19)20)24(21,22)18-8-11-5-9-2-3-10(11)4-9/h6-7,9-11,18H,2-5,8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyYDXIWVYDLUXKAY-AXFHLTTASA-N
MW370.86 g/mol
LogP2.50
Rot. Bonds4

About N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 42590576) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID42590576
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)c(Cl)cc21
InChIInChI=1S/C16H19ClN2O4S/c1-19-13-6-12(17)15(7-14(13)23-16(19)20)24(21,22)18-8-11-5-9-2-3-10(11)4-9/h6-7,9-11,18H,2-5,8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyYDXIWVYDLUXKAY-AXFHLTTASA-N
XLogP2.50
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-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-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 98786403
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
5-chloro-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 17139154
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
5-chloro-3-methyl-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-benzoxazole-6-sulfonamide
CID 7677660
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 62732758
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-4-methylbenzenesulfonamide
CID 63689047
5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
CID 28935901
N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-5-chloro-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 51500239
N-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-5-chloro-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 98137633
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 7647934

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 42590576) is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)c(Cl)cc21.
What is the InChIKey of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is YDXIWVYDLUXKAY-AXFHLTTASA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-19-13-6-12(17)15(7-14(13)23-16(19)20)24(21,22)18-8-11-5-9-2-3-10(11)4-9/h6-7,9-11,18H,2-5,8H2,1H3/t9-,10+,11-/m0/s1.
What are the key properties of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 370.86 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 42590576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).