N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide

C16H20N2O3S — CID 97244895

IUPACN-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)NC[C@@H]3CCC[C@H]3O)c2n1
InChIInChI=1S/C16H20N2O3S/c1-11-8-9-12-4-3-7-15(16(12)18-11)22(20,21)17-10-13-5-2-6-14(13)19/h3-4,7-9,13-14,17,19H,2,5-6,10H2,1H3/t13-,14+/m0/s1
InChIKeyDDSPRPACNFWPNX-UONOGXRCSA-N
MW320.41 g/mol
LogP1.98
Rot. Bonds4

About N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide

N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide (PubChem CID 97244895) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
PubChem CID97244895
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)NC[C@@H]3CCC[C@H]3O)c2n1
InChIInChI=1S/C16H20N2O3S/c1-11-8-9-12-4-3-7-15(16(12)18-11)22(20,21)17-10-13-5-2-6-14(13)19/h3-4,7-9,13-14,17,19H,2,5-6,10H2,1H3/t13-,14+/m0/s1
InChIKeyDDSPRPACNFWPNX-UONOGXRCSA-N
XLogP1.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylquinoline-8-sulfonamide
CID 90635489
N-but-3-ynyl-2-methylquinoline-8-sulfonamide
CID 90537994
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
3-methyl-2-[[(2-methylquinolin-8-yl)sulfonylamino]methyl]butanoic acid
CID 136533052
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
N-[(2-aminocyclopentyl)methyl]naphthalene-1-sulfonamide
CID 115752311
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
CID 97013728
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide?
The IUPAC name of N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide (CID 97244895) is N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide is Cc1ccc2cccc(S(=O)(=O)NC[C@@H]3CCC[C@H]3O)c2n1.
What is the InChIKey of N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide?
The InChIKey is DDSPRPACNFWPNX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-8-9-12-4-3-7-15(16(12)18-11)22(20,21)17-10-13-5-2-6-14(13)19/h3-4,7-9,13-14,17,19H,2,5-6,10H2,1H3/t13-,14+/m0/s1.
What are the key properties of N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide?
N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide is sourced from PubChem (CID 97244895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).