CID 167493686

C24H27ClN2O6S2 — CID 167493686

IUPAC—
SMILESCOc1ccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)cc1S(=O)(=O)Cl
InChIInChI=1S/C24H27ClN2O6S2/c1-33-20-6-3-16(13-21(20)35(25,31)32)22(28)27-15-24(11-9-23(7-8-23)10-12-24)18-14-17(4-5-19(18)27)26-34(2,29)30/h3-6,13-14,26H,7-12,15H2,1-2H3
InChIKeyYCSPFIQYNFCQIH-UHFFFAOYSA-N
MW539.08 g/mol
LogP4.25
Rot. Bonds5

About CID 167493686

CID 167493686 (PubChem CID 167493686) has the molecular formula C24H27ClN2O6S2 and a molecular weight of 539.08 g/mol.

Molecular Properties

Compound NameCID 167493686
PubChem CID167493686
Molecular FormulaC24H27ClN2O6S2
Molecular Weight539.08 g/mol
Exact Mass538.10
IUPAC Name—
SMILESCOc1ccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)cc1S(=O)(=O)Cl
InChIInChI=1S/C24H27ClN2O6S2/c1-33-20-6-3-16(13-21(20)35(25,31)32)22(28)27-15-24(11-9-23(7-8-23)10-12-24)18-14-17(4-5-19(18)27)26-34(2,29)30/h3-6,13-14,26H,7-12,15H2,1-2H3
InChIKeyYCSPFIQYNFCQIH-UHFFFAOYSA-N
XLogP4.25
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.08
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493854
CID 167493685
CID 167493685
CID 167493911
CID 167493911
N-(1-methylcyclobutyl)-3-(5$#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$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493507
CID 167493507
N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide
CID 167494045
CID 167493484
CID 167493484
CID 167493769
CID 167493769
CID 167494190
CID 167494190
CID 170176354
CID 170176354
CID 167493617
CID 167493617

Frequently Asked Questions

What is the IUPAC name of CID 167493686?
The IUPAC name of CID 167493686 (CID 167493686) is not available.
What is the SMILES notation for CID 167493686?
The canonical SMILES for CID 167493686 is COc1ccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)cc1S(=O)(=O)Cl.
What is the InChIKey of CID 167493686?
The InChIKey is YCSPFIQYNFCQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O6S2/c1-33-20-6-3-16(13-21(20)35(25,31)32)22(28)27-15-24(11-9-23(7-8-23)10-12-24)18-14-17(4-5-19(18)27)26-34(2,29)30/h3-6,13-14,26H,7-12,15H2,1-2H3.
What are the key properties of CID 167493686?
CID 167493686 has a molecular weight of 539.08 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493686 is sourced from PubChem (CID 167493686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).