N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

C14H22ClN3O2S — CID 98751161

IUPACN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H22ClN3O2S/c1-8(12-7-10-4-5-11(12)6-10)17-21(19,20)13-9(2)16-18(3)14(13)15/h8,10-12,17H,4-7H2,1-3H3/t8-,10+,11+,12+/m1/s1
InChIKeyOQNRDCXPHDVIFR-QTKMDUPCSA-N
MW331.87 g/mol
LogP2.48
Rot. Bonds4

About N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 98751161) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID98751161
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H22ClN3O2S/c1-8(12-7-10-4-5-11(12)6-10)17-21(19,20)13-9(2)16-18(3)14(13)15/h8,10-12,17H,4-7H2,1-3H3/t8-,10+,11+,12+/m1/s1
InChIKeyOQNRDCXPHDVIFR-QTKMDUPCSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 98371309
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 98371310
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 98392671
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 98330045
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
(1S,2S,6R,7R)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-azatricyclo[5.2.1.02,6]decane
CID 56902731
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 98288782
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 22108863
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (CID 98751161) is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is OQNRDCXPHDVIFR-QTKMDUPCSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-8(12-7-10-4-5-11(12)6-10)17-21(19,20)13-9(2)16-18(3)14(13)15/h8,10-12,17H,4-7H2,1-3H3/t8-,10+,11+,12+/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 98751161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).