CID 175710616

C17H21KN5O3S — CID 175710616

IUPAC—
SMILESCCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.[K]
InChIInChI=1S/C17H21N5O3S.K/c1-2-22-10-15(19-21-22)26(24,25)20-17(23)18-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16;/h9-10H,2-8H2,1H3,(H2,18,20,23);
InChIKeyADNPXCYCYMYNRZ-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.40
Rot. Bonds4

About CID 175710616

CID 175710616 (PubChem CID 175710616) has the molecular formula C17H21KN5O3S and a molecular weight of 414.55 g/mol.

Molecular Properties

Compound NameCID 175710616
PubChem CID175710616
Molecular FormulaC17H21KN5O3S
Molecular Weight414.55 g/mol
Exact Mass414.10
IUPAC Name—
SMILESCCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.[K]
InChIInChI=1S/C17H21N5O3S.K/c1-2-22-10-15(19-21-22)26(24,25)20-17(23)18-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16;/h9-10H,2-8H2,1H3,(H2,18,20,23);
InChIKeyADNPXCYCYMYNRZ-UHFFFAOYSA-N
XLogP1.40
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
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1-(1-ethyl-4-fluoropyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166572760
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
CID 137403461
1-(5-aminopyrazin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076531
1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
CID 175753183
CID 175753183
ethyl 4-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyrazol-1-yl]methyl]benzoate
CID 177065731
1-[1-cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159265974
CID 175753214
CID 175753214
CID 175724048
CID 175724048

Frequently Asked Questions

What is the IUPAC name of CID 175710616?
The IUPAC name of CID 175710616 (CID 175710616) is not available.
What is the SMILES notation for CID 175710616?
The canonical SMILES for CID 175710616 is CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.[K].
What is the InChIKey of CID 175710616?
The InChIKey is ADNPXCYCYMYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S.K/c1-2-22-10-15(19-21-22)26(24,25)20-17(23)18-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16;/h9-10H,2-8H2,1H3,(H2,18,20,23);.
What are the key properties of CID 175710616?
CID 175710616 has a molecular weight of 414.55 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175710616 is sourced from PubChem (CID 175710616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).