CID 167493685

C23H25ClN2O5S2 — CID 167493685

IUPAC—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C23H25ClN2O5S2/c1-32(28,29)25-17-5-6-20-19(14-17)23(11-9-22(7-8-22)10-12-23)15-26(20)21(27)16-3-2-4-18(13-16)33(24,30)31/h2-6,13-14,25H,7-12,15H2,1H3
InChIKeyGNLKCUKJZXIKGF-UHFFFAOYSA-N
MW509.05 g/mol
LogP4.24
Rot. Bonds4

About CID 167493685

CID 167493685 (PubChem CID 167493685) has the molecular formula C23H25ClN2O5S2 and a molecular weight of 509.05 g/mol.

Molecular Properties

Compound NameCID 167493685
PubChem CID167493685
Molecular FormulaC23H25ClN2O5S2
Molecular Weight509.05 g/mol
Exact Mass508.09
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C23H25ClN2O5S2/c1-32(28,29)25-17-5-6-20-19(14-17)23(11-9-22(7-8-22)10-12-23)15-26(20)21(27)16-3-2-4-18(13-16)33(24,30)31/h2-6,13-14,25H,7-12,15H2,1H3
InChIKeyGNLKCUKJZXIKGF-UHFFFAOYSA-N
XLogP4.24
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.05
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 167493911
CID 167493911
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493507
CID 167493507
CID 167493484
CID 167493484
CID 167493617
CID 167493617
CID 167493686
CID 167493686
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
CID 167494190
CID 167494190
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723

Frequently Asked Questions

What is the IUPAC name of CID 167493685?
The IUPAC name of CID 167493685 (CID 167493685) is not available.
What is the SMILES notation for CID 167493685?
The canonical SMILES for CID 167493685 is CS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of CID 167493685?
The InChIKey is GNLKCUKJZXIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5S2/c1-32(28,29)25-17-5-6-20-19(14-17)23(11-9-22(7-8-22)10-12-23)15-26(20)21(27)16-3-2-4-18(13-16)33(24,30)31/h2-6,13-14,25H,7-12,15H2,1H3.
What are the key properties of CID 167493685?
CID 167493685 has a molecular weight of 509.05 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493685 is sourced from PubChem (CID 167493685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).