CID 88909110

C15H16BClN2O2S — CID 88909110

IUPAC—
SMILES[B]c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H16BClN2O2S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)19-13-8-11(17)9-18-14(13)16/h4-9,19H,1-3H3
InChIKeyDCTHBFPENJUFLT-UHFFFAOYSA-N
MW334.64 g/mol
LogP2.63
Rot. Bonds3

About CID 88909110

CID 88909110 (PubChem CID 88909110) has the molecular formula C15H16BClN2O2S and a molecular weight of 334.64 g/mol.

Molecular Properties

Compound NameCID 88909110
PubChem CID88909110
Molecular FormulaC15H16BClN2O2S
Molecular Weight334.64 g/mol
Exact Mass334.07
IUPAC Name—
SMILES[B]c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H16BClN2O2S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)19-13-8-11(17)9-18-14(13)16/h4-9,19H,1-3H3
InChIKeyDCTHBFPENJUFLT-UHFFFAOYSA-N
XLogP2.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 25134464
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 24804598
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-1-yl-3-pyridinyl)benzenesulfonamide
CID 25134463
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24804444
N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 25134465
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-piperidin-4-yl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 143610137
2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346

Frequently Asked Questions

What is the IUPAC name of CID 88909110?
The IUPAC name of CID 88909110 (CID 88909110) is not available.
What is the SMILES notation for CID 88909110?
The canonical SMILES for CID 88909110 is [B]c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of CID 88909110?
The InChIKey is DCTHBFPENJUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BClN2O2S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)19-13-8-11(17)9-18-14(13)16/h4-9,19H,1-3H3.
What are the key properties of CID 88909110?
CID 88909110 has a molecular weight of 334.64 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88909110 is sourced from PubChem (CID 88909110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).