CID 175753187

C17H22N4NaO3S — CID 175753187

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnccn1.[Na]
InChIInChI=1S/C17H22N4O3S.Na/c1-11(2)13-6-5-7-14(12(3)4)16(13)20-17(22)21-25(23,24)15-10-18-8-9-19-15;/h5-12H,1-4H3,(H2,20,21,22);
InChIKeyMLFOJGBSQQEXDO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.85
Rot. Bonds5

About CID 175753187

CID 175753187 (PubChem CID 175753187) has the molecular formula C17H22N4NaO3S and a molecular weight of 385.45 g/mol.

Molecular Properties

Compound NameCID 175753187
PubChem CID175753187
Molecular FormulaC17H22N4NaO3S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnccn1.[Na]
InChIInChI=1S/C17H22N4O3S.Na/c1-11(2)13-6-5-7-14(12(3)4)16(13)20-17(22)21-25(23,24)15-10-18-8-9-19-15;/h5-12H,1-4H3,(H2,20,21,22);
InChIKeyMLFOJGBSQQEXDO-UHFFFAOYSA-N
XLogP2.85
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
CID 155068943
1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
CID 137404425
1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404422
1-[2,6-di(propan-2-yl)phenyl]-3-[6-(methylamino)pyrimidin-4-yl]sulfonylurea
CID 155076518
1-[2,6-di(propan-2-yl)phenyl]-3-(5-phenylpyrimidin-2-yl)sulfonylurea
CID 137403389
1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 155076568
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
1-[2,6-di(propan-2-yl)phenyl]-3-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]urea
CID 138571866
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-diethyl-1-methylpyrazole-5-carboxamide
CID 137499531
1-[2,6-di(propan-2-yl)phenyl]-3-(3-formylphenyl)sulfonylurea
CID 18461733

Frequently Asked Questions

What is the IUPAC name of CID 175753187?
The IUPAC name of CID 175753187 (CID 175753187) is not available.
What is the SMILES notation for CID 175753187?
The canonical SMILES for CID 175753187 is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnccn1.[Na].
What is the InChIKey of CID 175753187?
The InChIKey is MLFOJGBSQQEXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.Na/c1-11(2)13-6-5-7-14(12(3)4)16(13)20-17(22)21-25(23,24)15-10-18-8-9-19-15;/h5-12H,1-4H3,(H2,20,21,22);.
What are the key properties of CID 175753187?
CID 175753187 has a molecular weight of 385.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175753187 is sourced from PubChem (CID 175753187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).