2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine

C18H18ClN7O2S — CID 68726489

IUPAC2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine
SMILESCc1nc(N)ncc1-c1ccc(Cl)c(S(=O)(=O)N(N=C(N)N)c2ccccc2)c1
InChIInChI=1S/C18H18ClN7O2S/c1-11-14(10-23-18(22)24-11)12-7-8-15(19)16(9-12)29(27,28)26(25-17(20)21)13-5-3-2-4-6-13/h2-10H,1H3,(H4,20,21,25)(H2,22,23,24)
InChIKeyOZURAZBCKFJFJW-UHFFFAOYSA-N
MW431.91 g/mol
LogP2.07
Rot. Bonds5

About 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine

2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine (PubChem CID 68726489) has the molecular formula C18H18ClN7O2S and a molecular weight of 431.91 g/mol. Its IUPAC name is 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine.

Molecular Properties

Compound Name2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine
PubChem CID68726489
Molecular FormulaC18H18ClN7O2S
Molecular Weight431.91 g/mol
Exact Mass431.09
IUPAC Name2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine
SMILESCc1nc(N)ncc1-c1ccc(Cl)c(S(=O)(=O)N(N=C(N)N)c2ccccc2)c1
InChIInChI=1S/C18H18ClN7O2S/c1-11-14(10-23-18(22)24-11)12-7-8-15(19)16(9-12)29(27,28)26(25-17(20)21)13-5-3-2-4-6-13/h2-10H,1H3,(H4,20,21,25)(H2,22,23,24)
InChIKeyOZURAZBCKFJFJW-UHFFFAOYSA-N
XLogP2.07
TPSA153.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(4-chloro-2-pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122185748
4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5728920
N-[4-({4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]acetamide
CID 5730631
Rebalance
CID 451490
(4-Chloro-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44353969
4-(2-(2-(4-Chlorophenethylamino)pyrimidin-4-ylamino)ethyl)benzenesulfonamide
CID 54584004
5-(2-aminopyrimidin-5-yl)-2-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 60155726
N-[2-(5-aminopyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 122185749
4-(2-(4-chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide
CID 272646
4-(4-chlorophenyl)-N-(1-(methylsulfonyl)piperidin-4-yl)pyrimidin-2-amine
CID 54581026
3-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 129010761
4-[({[2-(4-chlorophenyl)ethyl]amino}carbonothioyl)amino]-N-2-pyrimidinylbenzenesulfonamide
CID 1298069

Frequently Asked Questions

What is the IUPAC name of 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine?
The IUPAC name of 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine (CID 68726489) is 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine.
What is the SMILES notation for 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine?
The canonical SMILES for 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine is Cc1nc(N)ncc1-c1ccc(Cl)c(S(=O)(=O)N(N=C(N)N)c2ccccc2)c1.
What is the InChIKey of 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine?
The InChIKey is OZURAZBCKFJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O2S/c1-11-14(10-23-18(22)24-11)12-7-8-15(19)16(9-12)29(27,28)26(25-17(20)21)13-5-3-2-4-6-13/h2-10H,1H3,(H4,20,21,25)(H2,22,23,24).
What are the key properties of 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine?
2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine has a molecular weight of 431.91 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine is sourced from PubChem (CID 68726489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).