CID 10651702

C30H22Cl2N4O4S2 — CID 10651702

IUPAC—
SMILESO=S(=O)(c1ccccc1)c1cc2c(cc1Cl)=NC1(CCC3(CC1)N=c1cc(Cl)c(S(=O)(=O)c4ccccc4)cc1=N3)N=2
InChIInChI=1S/C30H22Cl2N4O4S2/c31-21-15-23-25(17-27(21)41(37,38)19-7-3-1-4-8-19)35-29(33-23)11-13-30(14-12-29)34-24-16-22(32)28(18-26(24)36-30)42(39,40)20-9-5-2-6-10-20/h1-10,15-18H,11-14H2
InChIKeyWWTQFVHSYHWGFC-UHFFFAOYSA-N
MW637.57 g/mol
LogP3.83
Rot. Bonds4

About CID 10651702

CID 10651702 (PubChem CID 10651702) has the molecular formula C30H22Cl2N4O4S2 and a molecular weight of 637.57 g/mol.

Molecular Properties

Compound NameCID 10651702
PubChem CID10651702
Molecular FormulaC30H22Cl2N4O4S2
Molecular Weight637.57 g/mol
Exact Mass636.05
IUPAC Name—
SMILESO=S(=O)(c1ccccc1)c1cc2c(cc1Cl)=NC1(CCC3(CC1)N=c1cc(Cl)c(S(=O)(=O)c4ccccc4)cc1=N3)N=2
InChIInChI=1S/C30H22Cl2N4O4S2/c31-21-15-23-25(17-27(21)41(37,38)19-7-3-1-4-8-19)35-29(33-23)11-13-30(14-12-29)34-24-16-22(32)28(18-26(24)36-30)42(39,40)20-9-5-2-6-10-20/h1-10,15-18H,11-14H2
InChIKeyWWTQFVHSYHWGFC-UHFFFAOYSA-N
XLogP3.83
TPSA117.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.57
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 10651702?
The IUPAC name of CID 10651702 (CID 10651702) is not available.
What is the SMILES notation for CID 10651702?
The canonical SMILES for CID 10651702 is O=S(=O)(c1ccccc1)c1cc2c(cc1Cl)=NC1(CCC3(CC1)N=c1cc(Cl)c(S(=O)(=O)c4ccccc4)cc1=N3)N=2.
What is the InChIKey of CID 10651702?
The InChIKey is WWTQFVHSYHWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2N4O4S2/c31-21-15-23-25(17-27(21)41(37,38)19-7-3-1-4-8-19)35-29(33-23)11-13-30(14-12-29)34-24-16-22(32)28(18-26(24)36-30)42(39,40)20-9-5-2-6-10-20/h1-10,15-18H,11-14H2.
What are the key properties of CID 10651702?
CID 10651702 has a molecular weight of 637.57 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10651702 is sourced from PubChem (CID 10651702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).